Designing the user interface: strategies for effective human-computer interaction

NASA Astrophysics Data System (ADS)

Shneiderman, B.

1998-03-01

In revising this popular book, Ben Shneiderman again provides a complete, current and authoritative introduction to user-interface design. The user interface is the part of every computer system that determines how people control and operate that system. When the interface is well designed, it is comprehensible, predictable, and controllable; users feel competent, satisfied, and responsible for their actions. Shneiderman discusses the principles and practices needed to design such effective interaction. Based on 20 years experience, Shneiderman offers readers practical techniques and guidelines for interface design. He also takes great care to discuss underlying issues and to support conclusions with empirical results. Interface designers, software engineers, and product managers will all find this book an invaluable resource for creating systems that facilitate rapid learning and performance, yield low error rates, and generate high user satisfaction. Coverage includes the human factors of interactive software (with a new discussion of diverse user communities), tested methods to develop and assess interfaces, interaction styles such as direct manipulation for graphical user interfaces, and design considerations such as effective messages, consistent screen design, and appropriate color.

Applying Pragmatics Principles for Interaction with Visual Analytics.

PubMed

Hoque, Enamul; Setlur, Vidya; Tory, Melanie; Dykeman, Isaac

2018-01-01

Interactive visual data analysis is most productive when users can focus on answering the questions they have about their data, rather than focusing on how to operate the interface to the analysis tool. One viable approach to engaging users in interactive conversations with their data is a natural language interface to visualizations. These interfaces have the potential to be both more expressive and more accessible than other interaction paradigms. We explore how principles from language pragmatics can be applied to the flow of visual analytical conversations, using natural language as an input modality. We evaluate the effectiveness of pragmatics support in our system Evizeon, and present design considerations for conversation interfaces to visual analytics tools.

Building intuitive 3D interfaces for virtual reality systems

NASA Astrophysics Data System (ADS)

Vaidya, Vivek; Suryanarayanan, Srikanth; Seitel, Mathias; Mullick, Rakesh

2007-03-01

An exploration of techniques for developing intuitive, and efficient user interfaces for virtual reality systems. Work seeks to understand which paradigms from the better-understood world of 2D user interfaces remain viable within 3D environments. In order to establish this a new user interface was created that applied various understood principles of interface design. A user study was then performed where it was compared with an earlier interface for a series of medical visualization tasks.

Layout Design of Human-Machine Interaction Interface of Cabin Based on Cognitive Ergonomics and GA-ACA.

PubMed

Deng, Li; Wang, Guohua; Yu, Suihuai

2016-01-01

In order to consider the psychological cognitive characteristics affecting operating comfort and realize the automatic layout design, cognitive ergonomics and GA-ACA (genetic algorithm and ant colony algorithm) were introduced into the layout design of human-machine interaction interface. First, from the perspective of cognitive psychology, according to the information processing process, the cognitive model of human-machine interaction interface was established. Then, the human cognitive characteristics were analyzed, and the layout principles of human-machine interaction interface were summarized as the constraints in layout design. Again, the expression form of fitness function, pheromone, and heuristic information for the layout optimization of cabin was studied. The layout design model of human-machine interaction interface was established based on GA-ACA. At last, a layout design system was developed based on this model. For validation, the human-machine interaction interface layout design of drilling rig control room was taken as an example, and the optimization result showed the feasibility and effectiveness of the proposed method.

Layout Design of Human-Machine Interaction Interface of Cabin Based on Cognitive Ergonomics and GA-ACA

PubMed Central

Deng, Li; Wang, Guohua; Yu, Suihuai

2016-01-01

In order to consider the psychological cognitive characteristics affecting operating comfort and realize the automatic layout design, cognitive ergonomics and GA-ACA (genetic algorithm and ant colony algorithm) were introduced into the layout design of human-machine interaction interface. First, from the perspective of cognitive psychology, according to the information processing process, the cognitive model of human-machine interaction interface was established. Then, the human cognitive characteristics were analyzed, and the layout principles of human-machine interaction interface were summarized as the constraints in layout design. Again, the expression form of fitness function, pheromone, and heuristic information for the layout optimization of cabin was studied. The layout design model of human-machine interaction interface was established based on GA-ACA. At last, a layout design system was developed based on this model. For validation, the human-machine interaction interface layout design of drilling rig control room was taken as an example, and the optimization result showed the feasibility and effectiveness of the proposed method. PMID:26884745

Improving the Usability of the User Interface for a Digital Textbook Platform for Elementary-School Students

ERIC Educational Resources Information Center

Lim, Cheolil; Song, Hae-Deok; Lee, Yekyung

2012-01-01

Usability is critical to the development of a user-friendly digital textbook platform interface, yet thorough research on interface development based on usability principles is in short supply. This study addresses that need by looking at usability attributes and corresponding design elements from a learning perspective. The researchers used a…

User interface design principles for the SSM/PMAD automated power system

NASA Technical Reports Server (NTRS)

Jakstas, Laura M.; Myers, Chris J.

1991-01-01

Martin Marietta has developed a user interface for the space station module power management and distribution (SSM/PMAD) automated power system testbed which provides human access to the functionality of the power system, as well as exemplifying current techniques in user interface design. The testbed user interface was designed to enable an engineer to operate the system easily without having significant knowledge of computer systems, as well as provide an environment in which the engineer can monitor and interact with the SSM/PMAD system hardware. The design of the interface supports a global view of the most important data from the various hardware and software components, as well as enabling the user to obtain additional or more detailed data when needed. The components and representations of the SSM/PMAD testbed user interface are examined. An engineer's interactions with the system are also described.

An Ecological Approach to the Design of UAV Ground Control Station (GCS) Status Displays

NASA Technical Reports Server (NTRS)

Dowell, Susan; Morphew, Ephimia; Shively, Jay

2003-01-01

Use of UAVs in military and commercial applications will continue to increase. However, there has been limited research devoted to UAV GCS design. The current study employed an ecological approach to interfac e design. Ecological Interface Design (EID) can be characterized as r epresenting the properties of a system, such that an operator is enco uraged to use skill-based behavior when problem solving. When more ef fortful cognitive processes become necessary due to unfamiliar situations, the application of EID philosophy supports the application of kn owledge-based behavior. With advances toward multiple UAV command and control, operators need GCS interfaces designed to support understan ding of complex systems. We hypothesized that use of EID principles f or the display of UAV status information would result in better opera tor performance and situational awareness, while decreasing workload. Pilots flew a series of missions with three UAV GCS displays of statu s information (Alphanumeric, Ecological, and Hybrid display format). Measures of task performance, Situational Awareness, and workload dem onstrated the benefits of using an ecological approach to designing U AV GCS displays. The application of ecological principles to the design of UAV GCSs is a promising area for improving UAV operations.

Strategic Help in User Interfaces for Information Retrieval.

ERIC Educational Resources Information Center

Brajnik, Giorgio; Mizzaro, Stefano; Tasso, Carlo; Venuti, Fabio

2002-01-01

Discussion of search strategy in information retrieval by end users focuses on the role played by strategic reasoning and design principles for user interfaces. Highlights include strategic help based on collaborative coaching; a conceptual model for strategic help; and a prototype knowledge-based system named FIRE. (Author/LRW)

The design principles of edutainment system for autistic children with communication difficulties

NASA Astrophysics Data System (ADS)

Hussain, Azham; Abdullah, Adil; Husni, Husniza

2016-08-01

Approximately 50% of all individuals with Autism have difficulties in developing functional language owing to communication deterioration. Mobile devices with installed educational games help these individuals feel more comfortable and relaxed doing such activities. Although numerous mobile applications are available for individuals with Autism, they are difficult to use; particularly in terms of user-interface design. From the analysis of existing apps for autistic children, an app design principles are proposed based on interaction design (IxD), that would fulfil the users' requirements in a better manner. Five applications were involved in this analysis. The analysis identified fifteen suggestions for the design principles. These recommendations are offered by this paper towards designing and developing a prototype app for autistic children. This paper introduces an edutainment-system design principle formulated to help develop the communication skills of children with Autism-spectrum disorders.

Theoretical insights into multiscale electronic processes in organic photovoltaics

NASA Astrophysics Data System (ADS)

Tretiak, Sergei

Present day electronic devices are enabled by design and implementation of precise interfaces that control the flow of charge carriers. This requires robust and predictive multiscale approaches for theoretical description of underlining complex phenomena. Combined with thorough experimental studies such approaches provide a reliable estimate of physical properties of nanostructured materials and enable a rational design of devices. From this perspective I will discuss first principle modeling of small-molecule bulk-heterojunction organic solar cells and push-pull chromophores for tunable-color organic light emitters. The emphasis is on electronic processes involving intra- and intermolecular energy or charge transfer driven by strong electron-phonon coupling inherent to pi-conjugated systems. Finally I will describe how precise manipulation and control of organic-organic interfaces in a photovoltaic device can increase its power conversion efficiency by 2-5 times in a model bilayer system. Applications of these design principles to practical architectures like bulk heterojunction devices lead to an enhancement in power conversion efficiency from 4.0% to 7.0%. These interface manipulation strategies are universally applicable to any donor-acceptor interface, making them both fundamentally interesting and technologically important for achieving high efficiency organic electronic devices.

The Contribution of Cognitive Engineering to the Effective Design and Use of Information Systems.

ERIC Educational Resources Information Center

Garg-Janardan, Chaya; Salvendy, Gavriel

1986-01-01

Examines the role of human information processing and decision-making capabilities and limitations in the design of effective human-computer interfaces. Several cognitive engineering principles that should guide the design process are outlined. (48 references) (Author/CLB)

Usable Interface Design for Everyone

NASA Astrophysics Data System (ADS)

de Castro Lozano, Carlos; Salcines, Enrique García; Sainz de Abajo, Beatriz; Burón Fernández, F. Javier; Ramírez, José Miguel; Recellado, José Gabriel Zato; Montoya, Rafael Sanchez; Bell, John; Marin, Francisco Alcantud

When designing "interfaces for everyone" for interactive systems, it is important to consider factors such as cost, the intended market, the state of the environment, etc. User interfaces are fundamental for the developmental process in any application, and its design must be contemplated from the start. Of the distinct parts of a system (hardware and software), it is the interface that permits the user access to computer resources. The seven principles of "Universal Design" or "Design for Everyone" focus on a universal usable design, but at the same time acknowledge the influences of internal and external factors. Structural changes in social and health services could provide an increase in the well-being of a country's citizens through the use of self-care programming and proactive management/prevention of disease. Automated home platforms can act as an accessibility instrument which permits users to avoid, compensate, mitigate, or neutralize the deficiencies and dependencies caused by living alone.

Methods and principles for determining task dependent interface content

NASA Technical Reports Server (NTRS)

Shalin, Valerie L.; Geddes, Norman D.; Mikesell, Brian G.

1992-01-01

Computer generated information displays provide a promising technology for offsetting the increasing complexity of the National Airspace System. To realize this promise, however, we must extend and adapt the domain-dependent knowledge that informally guides the design of traditional dedicated displays. In our view, the successful exploitation of computer generated displays revolves around the idea of information management, that is, the identification, organization, and presentation of relevant and timely information in a complex task environment. The program of research that is described leads to methods and principles for information management in the domain of commercial aviation. The multi-year objective of the proposed program of research is to develop methods and principles for determining task dependent interface content.

Charge Behaviors around Oxide Device/Pseudo-Physiological Solution Interface with Molecular Dynamic Simulations

NASA Astrophysics Data System (ADS)

Maekawa, Yuki; Shibuta, Yasushi; Sakata, Toshiya

2013-12-01

In this study, we investigated the charge behaviors of ions and water molecules at the oxide device/pseudo-physiological solution interface by use of molecular dynamics (MD) simulations because the detection principle of semiconductor-based biosensors is based on the detection of charge density changes at the oxide sensing surface in physiological environments. In particular, we designed an alpha-quartz (100) surface with some charges corresponding to pH=5.5 so that the ionic behaviors for 500 mM each of Na+ and Cl- around the interface were calculated under the surface condition with charges, considering a real system. As a result of the simulation, we defined the region of Debye length from the calculated potential distribution, in which some parameters such as diffusion coefficient and the vibration of water molecules around the interface differed from those of the bulk solution. The elucidation of the solid/liquid interfacial behaviors by the simulation technique should deepen our understanding of the detection principle of semiconductor-based biosensors and will give guidelines for the design of a bio-interface in the field of biosensing technology, because they cannot be demonstrated experimentally.

Design Guidelines and Criteria for User/Operator Transactions with Battlefield Automated Systems. Volume 5. Background Literature

DTIC Science & Technology

1981-02-01

the machine . ARI’s efforts in this area focus on human perfor- mance problems related to interactions with command and control centers, and on issues...improvement of the user- machine interface. Lacking consistent design principles, current practice results in a fragmented and unsystematic approach to system...complexity in the user- machine interface of BAS, ARI supported this effort for develop- me:nt of an online language for Army tactical intelligence

Toward More Critical Reviewing and Analysis of CD-ROM User Software Interfaces.

ERIC Educational Resources Information Center

Zink, Steven D.

1991-01-01

Criticizes reviews of library CD-ROM products as being uncritical of the user interface and advocates a more rigorous evaluation, not only to aid potential buyers, but as a way to influence manufacturers. Congressional Information Services' Masterfile 2 is evaluated in the context of Heckel's "Principles of Friendly Software Design." (24…

On the application of motivation theory to human factors/ergonomics: motivational design principles for human-technology interaction.

PubMed

Szalma, James L

2014-12-01

Motivation is a driving force in human-technology interaction. This paper represents an effort to (a) describe a theoretical model of motivation in human technology interaction, (b) provide design principles and guidelines based on this theory, and (c) describe a sequence of steps for the. evaluation of motivational factors in human-technology interaction. Motivation theory has been relatively neglected in human factors/ergonomics (HF/E). In both research and practice, the (implicit) assumption has been that the operator is already motivated or that motivation is an organizational concern and beyond the purview of HF/E. However, technology can induce task-related boredom (e.g., automation) that can be stressful and also increase system vulnerability to performance failures. A theoretical model of motivation in human-technology interaction is proposed, based on extension of the self-determination theory of motivation to HF/E. This model provides the basis for both future research and for development of practical recommendations for design. General principles and guidelines for motivational design are described as well as a sequence of steps for the design process. Human motivation is an important concern for HF/E research and practice. Procedures in the design of both simple and complex technologies can, and should, include the evaluation of motivational characteristics of the task, interface, or system. In addition, researchers should investigate these factors in specific human-technology domains. The theory, principles, and guidelines described here can be incorporated into existing techniques for task analysis and for interface and system design.

Screen Design Principles of Computer-Aided Instructional Software for Elementary School Students

ERIC Educational Resources Information Center

Berrin, Atiker; Turan, Bülent Onur

2017-01-01

This study aims to present primary school students' views about current educational software interfaces, and to propose principles for educational software screens. The study was carried out with a general screening model. Sample group of the study consisted of sixth grade students in Sehit Ögretmen Hasan Akan Elementary School. In this context,…

Training Manual for Elements of Interface Definition and Control

NASA Technical Reports Server (NTRS)

Lalli, Vincent R. (Editor); Kastner, Robert E. (Editor); Hartt, Henry N. (Editor)

1997-01-01

The primary thrust of this manual is to ensure that the format and information needed to control interfaces between equipment are clear and understandable. The emphasis is on controlling the engineering design of the interface and not on the functional performance requirements of the system or the internal workings of the interfacing equipment. Interface control should take place, with rare exception, at the interfacing elements and no further. There are two essential sections of the manual. Chapter 2, Principles of Interface Control, discusses how interfaces are defined. It describes different types of interfaces to be considered and recommends a format for the documentation necessary for adequate interface control. Chapter 3, The Process: Through the Design Phases, provides tailored guidance for interface definition and control. This manual can be used to improve planned or existing interface control processes during system design and development. It can also be used to refresh and update the corporate knowledge base. The information presented herein will reduce the amount of paper and data required in interface definition and control processes by as much as 50 percent and will shorten the time required to prepare an interface control document. It also highlights the essential technical parameters that ensure that flight subsystems will indeed fit together and function as intended after assembly and checkout.

Monitoring and controlling ATLAS data management: The Rucio web user interface

NASA Astrophysics Data System (ADS)

Lassnig, M.; Beermann, T.; Vigne, R.; Barisits, M.; Garonne, V.; Serfon, C.

2015-12-01

The monitoring and controlling interfaces of the previous data management system DQ2 followed the evolutionary requirements and needs of the ATLAS collaboration. The new data management system, Rucio, has put in place a redesigned web-based interface based upon the lessons learnt from DQ2, and the increased volume of managed information. This interface encompasses both a monitoring and controlling component, and allows easy integration for usergenerated views. The interface follows three design principles. First, the collection and storage of data from internal and external systems is asynchronous to reduce latency. This includes the use of technologies like ActiveMQ or Nagios. Second, analysis of the data into information is done massively parallel due to its volume, using a combined approach with an Oracle database and Hadoop MapReduce. Third, sharing of the information does not distinguish between human or programmatic access, making it easy to access selective parts of the information both in constrained frontends like web-browsers as well as remote services. This contribution will detail the reasons for these principles and the design choices taken. Additionally, the implementation, the interactions with external systems, and an evaluation of the system in production, both from a technological and user perspective, conclude this contribution.

Interface design principles for high-performance organic semiconductor devices

DOE PAGES

Nie, Wanyi; Gupta, Gautam; Crone, Brian K.; ...

2015-03-23

Organic solar cells (OSCs) are a promising cost-effective candidate in next generation photovoltaic technology. However, a critical bottleneck for OSCs is the electron/hole recombination loss through charge transfer state at the interface, which greatly limits the power conversion efficiency. W. Nie, A. Mohite, and co-workers demonstrate a simple strategy of suppressing the recombination rate by inserting a spacer layer at the donor-acceptor interface, resulting in a dramatic increase in power conversion efficiency.

Soldier-Machine Interface for the Army Future Combat System: Literature Review, Requirements, and Emerging Design Principles

DTIC Science & Technology

2003-04-01

Development vs . Iterative Design ............................ II-7 3. Getting to Know the User: Designing for Usability, Utility, and Pleasure...III-1 2. Terrain Focus .................................................................................... III-1 3. Display vs . Control...heterogeneous, and it diverged into broad philosophical issues, such as “design as engineering” vs . “design as art” and the utility of controlled

Human Machine Interfaces for Teleoperators and Virtual Environments

NASA Technical Reports Server (NTRS)

Durlach, Nathaniel I. (Compiler); Sheridan, Thomas B. (Compiler); Ellis, Stephen R. (Compiler)

1991-01-01

In Mar. 1990, a meeting organized around the general theme of teleoperation research into virtual environment display technology was conducted. This is a collection of conference-related fragments that will give a glimpse of the potential of the following fields and how they interplay: sensorimotor performance; human-machine interfaces; teleoperation; virtual environments; performance measurement and evaluation methods; and design principles and predictive models.

An ergonomics based design research method for the arrangement of helicopter flight instrument panels.

PubMed

Alppay, Cem; Bayazit, Nigan

2015-11-01

In this paper, we study the arrangement of displays in flight instrument panels of multi-purpose civil helicopters following a user-centered design method based on ergonomics principles. Our methodology can also be described as a user-interface arrangement methodology based on user opinions and preferences. This study can be outlined as gathering user-centered data using two different research methods and then analyzing and integrating the collected data to come up with an optimal instrument panel design. An interview with helicopter pilots formed the first step of our research. In that interview, pilots were asked to provide a quantitative evaluation of basic interface arrangement principles. In the second phase of the research, a paper prototyping study was conducted with same pilots. The final phase of the study entailed synthesizing the findings from interviews and observational studies to formulate an optimal flight instrument arrangement methodology. The primary results that we present in our paper are the methodology that we developed and three new interface arrangement concepts, namely relationship of inseparability, integrated value and locational value. An optimum instrument panel arrangement is also proposed by the researchers. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

A Human Factors Framework for Payload Display Design

NASA Technical Reports Server (NTRS)

Dunn, Mariea C.; Hutchinson, Sonya L.

1998-01-01

During missions to space, one charge of the astronaut crew is to conduct research experiments. These experiments, referred to as payloads, typically are controlled by computers. Crewmembers interact with payload computers by using visual interfaces or displays. To enhance the safety, productivity, and efficiency of crewmember interaction with payload displays, particular attention must be paid to the usability of these displays. Enhancing display usability requires adoption of a design process that incorporates human factors engineering principles at each stage. This paper presents a proposed framework for incorporating human factors engineering principles into the payload display design process.

ARO-YIP (Materials By Design): Organic Photovoltaic Multiferroics

DTIC Science & Technology

Materials-by- design and self-assembly principles are applied to organic functional materials to control their morphology, interface, and crystalline...multifunctional properties, such as dielectric, magnetic, optoelectronic, and magnetoelectric coupling behaviors. The control of organic crystallization and...electronics. In this project, we aim at utilizing the material design and assembly strategies to rationally develop organic multiferroic-photovoltaics

Learning in the "Café": Pilot Testing the Collaborative Application for Education in Facebook

ERIC Educational Resources Information Center

McCarthy, Josh

2015-01-01

This paper reports on a pilot study using the "Café," the collaborative application for education as an online learning environment within the Facebook framework, for first-year tertiary design students. The "Café," a new e-learning application, has been designed based on five principles of user interface design--visibility,…

The liquid crystal light valve, an optical-to-optical interface device

NASA Technical Reports Server (NTRS)

Jacobson, A. D.; Beard, T. D.; Bleha, W. P.; Margerum, J. D.; Wong, S. Y.

1972-01-01

A photoactivated liquid crystal light valve is described as an optical-to-optical interface device (OTTO) which is designed to transfer an optical image from a noncoherent light beam to a spatially coherent beam of light, in real time. Schematics of OTTO in use, the liquid cyrstal cell, and the liquid crystal structure are presented. Sensitivity characteristics and the principles of operation are discussed.

Laser optical appraisal and design of a PRIME/Rover interface

NASA Technical Reports Server (NTRS)

Donaldson, J. A.

1980-01-01

An appraisal of whether to improve the existing multi-laser/multi detector system was undertaken. Two features of the elevation scanning mast which prevent the system from meeting desired specifications were studied. Then elevation scanning mast has 20 detectors, as opposed to the desired 40. This influences the system's overall resolution. The mirror shaft encoder's finite resolution prevents the laser from being aimed exactly as desired. This influences the system's overall accuracy. It was concluded that the existing system needs no modification at present. The design and construction of a data emulator which allowed testing data transactions with a PRIME computer is described, and theory of operation briefly discussed. A full blown PRIME/Rover Interface was designed and built. The capabilities of this Interface and its operating principles are discussed.

Scientific and Graphic Design Foundations for C2

DTIC Science & Technology

2007-06-01

the elements in the composition. This section presents a summary of the concepts in graphic design layout, typography , color, and data graphics...assist the users in perceiving and recognizing patterns in information. Typography Typography is the art and technique of designing textual...Principles of typography for user interface design, interactions, Vol 5, pp. 15, Nov/Dec 1998 Kahneman, D., & Henik, A. 1981. Perceptual organization and

Acoustic Emission and Echo Signal Compensation Techniques Applied to an Ultrasonic Logging-While-Drilling Caliper.

PubMed

Yao, Yongchao; Ju, Xiaodong; Lu, Junqiang; Men, Baiyong

2017-06-10

A logging-while-drilling (LWD) caliper is a tool used for the real-time measurement of a borehole diameter in oil drilling engineering. This study introduces the mechanical structure and working principle of a new LWD caliper based on ultrasonic distance measurement (UDM). The detection range is a major performance index of a UDM system. This index is determined by the blind zone length and remote reflecting interface detection capability of the system. To reduce the blind zone length and detect near the reflecting interface, a full bridge acoustic emission technique based on bootstrap gate driver (BGD) and metal-oxide-semiconductor field effect transistor (MOSFET) is designed by analyzing the working principle and impedance characteristics of a given piezoelectric transducer. To detect the remote reflecting interface and reduce the dynamic range of the received echo signals, the relationships between the echo amplitude and propagation distance of ultrasonic waves are determined. A signal compensation technique based on time-varying amplification theory, which can automatically change the gain according to the echo arrival time is designed. Lastly, the aforementioned techniques and corresponding circuits are experimentally verified. Results show that the blind zone length in the UDM system of the LWD caliper is significantly reduced and the capability to detect the remote reflecting interface is considerably improved.

Acoustic Emission and Echo Signal Compensation Techniques Applied to an Ultrasonic Logging-While-Drilling Caliper

PubMed Central

Yao, Yongchao; Ju, Xiaodong; Lu, Junqiang; Men, Baiyong

2017-01-01

A logging-while-drilling (LWD) caliper is a tool used for the real-time measurement of a borehole diameter in oil drilling engineering. This study introduces the mechanical structure and working principle of a new LWD caliper based on ultrasonic distance measurement (UDM). The detection range is a major performance index of a UDM system. This index is determined by the blind zone length and remote reflecting interface detection capability of the system. To reduce the blind zone length and detect near the reflecting interface, a full bridge acoustic emission technique based on bootstrap gate driver (BGD) and metal-oxide-semiconductor field effect transistor (MOSFET) is designed by analyzing the working principle and impedance characteristics of a given piezoelectric transducer. To detect the remote reflecting interface and reduce the dynamic range of the received echo signals, the relationships between the echo amplitude and propagation distance of ultrasonic waves are determined. A signal compensation technique based on time-varying amplification theory, which can automatically change the gain according to the echo arrival time is designed. Lastly, the aforementioned techniques and corresponding circuits are experimentally verified. Results show that the blind zone length in the UDM system of the LWD caliper is significantly reduced and the capability to detect the remote reflecting interface is considerably improved. PMID:28604603

Empirical Studies of the Value of Algorithm Animation in Algorithm Understanding

DTIC Science & Technology

1993-08-01

defines program visualization as "the use of the technology of interactive graphics and the crafts of graphic design , typography , animation and...classroom, considerable thought must go into the design of the animation. Guidelines exist for the design of interfaces and for the design of graphical presen...principles are learned which may be applied to several related problem situations. 2.3 Design of Pictures To obtain the maximum benefit of graphics

bioWidgets: data interaction components for genomics.

PubMed

Fischer, S; Crabtree, J; Brunk, B; Gibson, M; Overton, G C

1999-10-01

The presentation of genomics data in a perspicuous visual format is critical for its rapid interpretation and validation. Relatively few public database developers have the resources to implement sophisticated front-end user interfaces themselves. Accordingly, these developers would benefit from a reusable toolkit of user interface and data visualization components. We have designed the bioWidget toolkit as a set of JavaBean components. It includes a wide array of user interface components and defines an architecture for assembling applications. The toolkit is founded on established software engineering design patterns and principles, including componentry, Model-View-Controller, factored models and schema neutrality. As a proof of concept, we have used the bioWidget toolkit to create three extendible applications: AnnotView, BlastView and AlignView.

A Generic, Agent-Based Framework for Design and Development of UAV/UCAV Control Systems

DTIC Science & Technology

2004-02-27

37 EID Principles .................................................................................................. 38 Experimental Support for EID...Year 2 Interface design and implementation; creation of the simulation environment; Year 3 Demonstration of the concept and experimental evaluation...UAV/UCAV control in which operators can experience high cognitive workloads. There are several ways in which systems can construct user models by

Comparison of the Booster Interface Temperature in Stainless Steel (SS) V-Channel Versus the Aluminum (Al) Y-Channel Primer Chamber Assemblies (PCAs). Volume 2; Appendices

NASA Technical Reports Server (NTRS)

Garcia, Roberto; Saulsberry, Regor L.

2011-01-01

NASA's Technical Fellow for Propulsion, requested a technical assessment of the performance improvement achieved by the introduction of the stainless steel (SS) V-channel compared to the aluminum (Al) Y-channel Primer Chamber Assembly (PCA) design. The SS V-channel PCA was developed for NASA's Mars Science Laboratory (MSL) Project. The principle focus of the assessment was to measure the transient temperature at the booster interface with both designs. This document contains the Appendices to the Volume I main report.

Comparison of the Booster Interface Temperature in Stainless Steel (SS) V-Channel versus the Aluminum (Al) Y-Channel Primer Chamber Assemblies (PCAs). Volume 1; Technical Assessment Report

NASA Technical Reports Server (NTRS)

Garcia, Roberto; Saulsberry, Regor L.

2011-01-01

NASA's Technical Fellow for Propulsion, requested a technical assessment of the performance improvement achieved by the introduction of the stainless steel (SS) V-channel compared to the aluminum (Al) Y-channel Primer Chamber Assembly (PCA) design. The SS V-channel PCA was developed for NASA's Mars Science Laboratory (MSL) Project. The principle focus of the assessment was to measure the transient temperature at the booster interface with both designs. This document contains the findings of the assessment.

Design of a zoom lens without motorized optical elements

NASA Astrophysics Data System (ADS)

Peng, Runling; Chen, Jiabi; Zhu, Cheng; Zhuang, Songlin

2007-05-01

A novel design of a zoom lens system without motorized movements is proposed. The lens system consists of a fixed lens and two double-liquid variable-focus lenses. The liquid lenses, made out of two immiscible liquids, are based on the principle of electrowetting: an effect controlling the wetting properties of a liquid on a solid by modifying the applied voltage at the solid-liquid interface. The structure and principle of the lens system are introduced in this paper. Detailed calculations and simulation examples are presented to show that this zoom lens system appears viable as the next-generation zoom lens.

Design of a zoom lens without motorized optical elements.

PubMed

Peng, Runling; Chen, Jiabi; Zhu, Cheng; Zhuang, Songlin

2007-05-28

A novel design of a zoom lens system without motorized movements is proposed. The lens system consists of a fixed lens and two double-liquid variable-focus lenses. The liquid lenses, made out of two immiscible liquids, are based on the principle of electrowetting: an effect controlling the wetting properties of a liquid on a solid by modifying the applied voltage at the solid-liquid interface. The structure and principle of the lens system are introduced in this paper. Detailed calculations and simulation examples are presented to show that this zoom lens system appears viable as the next-generation zoom lens.

Techniques for Interface Stress Measurements within Prosthetic Sockets of Transtibial Amputees: A Review of the Past 50 Years of Research.

PubMed

Al-Fakih, Ebrahim A; Abu Osman, Noor Azuan; Mahmad Adikan, Faisal Rafiq

2016-07-20

The distribution of interface stresses between the residual limb and prosthetic socket of a transtibial amputee has been considered as a direct indicator of the socket quality fit and comfort. Therefore, researchers have been very interested in quantifying these interface stresses in order to evaluate the extent of any potential damage caused by the socket to the residual limb tissues. During the past 50 years a variety of measurement techniques have been employed in an effort to identify sites of excessive stresses which may lead to skin breakdown, compare stress distributions in various socket designs, and evaluate interface cushioning and suspension systems, among others. The outcomes of such measurement techniques have contributed to improving the design and fitting of transtibial sockets. This article aims to review the operating principles, advantages, and disadvantages of conventional and emerging techniques used for interface stress measurements inside transtibial sockets. It also reviews and discusses the evolution of different socket concepts and interface stress investigations conducted in the past five decades, providing valuable insights into the latest trends in socket designs and the crucial considerations for effective stress measurement tools that lead to a functional prosthetic socket.

Techniques for Interface Stress Measurements within Prosthetic Sockets of Transtibial Amputees: A Review of the Past 50 Years of Research

PubMed Central

Al-Fakih, Ebrahim A.; Abu Osman, Noor Azuan; Mahmad Adikan, Faisal Rafiq

2016-01-01

The distribution of interface stresses between the residual limb and prosthetic socket of a transtibial amputee has been considered as a direct indicator of the socket quality fit and comfort. Therefore, researchers have been very interested in quantifying these interface stresses in order to evaluate the extent of any potential damage caused by the socket to the residual limb tissues. During the past 50 years a variety of measurement techniques have been employed in an effort to identify sites of excessive stresses which may lead to skin breakdown, compare stress distributions in various socket designs, and evaluate interface cushioning and suspension systems, among others. The outcomes of such measurement techniques have contributed to improving the design and fitting of transtibial sockets. This article aims to review the operating principles, advantages, and disadvantages of conventional and emerging techniques used for interface stress measurements inside transtibial sockets. It also reviews and discusses the evolution of different socket concepts and interface stress investigations conducted in the past five decades, providing valuable insights into the latest trends in socket designs and the crucial considerations for effective stress measurement tools that lead to a functional prosthetic socket. PMID:27447646

The SENSEI Generic In Situ Interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ayachit, Utkarsh; Whitlock, Brad; Wolf, Matthew

The SENSEI generic in situ interface is an API that promotes code portability and reusability. From the simulation view, a developer can instrument their code with the SENSEI API and then make make use of any number of in situ infrastructures. From the method view, a developer can write an in situ method using the SENSEI API, then expect it to run in any number of in situ infrastructures, or be invoked directly from a simulation code, with little or no modification. This paper presents the design principles underlying the SENSEI generic interface, along with some simplified coding examples.

Plutonium Immobilization Project System Design Description for Can Loading System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kriikku, E.

2001-02-15

The purpose of this System Design Description (SDD) is to specify the system and component functions and requirements for the Can Loading System and provide a complete description of the system (design features, boundaries, and interfaces), principles of operation (including upsets and recovery), and the system maintenance approach. The Plutonium Immobilization Project (PIP) will immobilize up to 13 metric tons (MT) of U.S. surplus weapons usable plutonium materials.

Aiding planning in air traffic control: an experimental investigation of the effects of perceptual information integration.

PubMed

Moertl, Peter M; Canning, John M; Gronlund, Scott D; Dougherty, Michael R P; Johansson, Joakim; Mills, Scott H

2002-01-01

Prior research examined how controllers plan in their traditional environment and identified various information uncertainties as detriments to planning. A planning aid was designed to reduce this uncertainty by perceptually representing important constraints. This included integrating spatial information on the radar screen with discrete information (planned sequences of air traffic). Previous research reported improved planning performance and decreased workload in the planning aid condition. The purpose of this paper was to determine the source of these performance improvements. Analysis of computer interactions using log-linear modeling showed that the planning interface led to less repetitive--but more integrated--information retrieval compared with the traditional planning environment. Ecological interface design principles helped explain how the integrated information retrieval gave rise to the performance improvements. Actual or potential applications of this research include the design and evaluation of interface automation that keeps users in active control by modification of perceptual task characteristics.

Integrating Innovation: Keeping the Leading Edge

DTIC Science & Technology

2015-08-01

access inside Army com- mand posts. Commercial innovation also can be built directly into our con- tract structure. Just as today’s smartphones ...moving to publish detailed guidance this year on how gov- ernment and industry partners will comply with the Modular Open Systems Architecture...which outlines design principles and interface characteristics allowing for modular hardware While the Army cannot predict the future or design

Light propagation with phase discontinuities: generalized laws of reflection and refraction.

PubMed

Yu, Nanfang; Genevet, Patrice; Kats, Mikhail A; Aieta, Francesco; Tetienne, Jean-Philippe; Capasso, Federico; Gaburro, Zeno

2011-10-21

Conventional optical components rely on gradual phase shifts accumulated during light propagation to shape light beams. New degrees of freedom are attained by introducing abrupt phase changes over the scale of the wavelength. A two-dimensional array of optical resonators with spatially varying phase response and subwavelength separation can imprint such phase discontinuities on propagating light as it traverses the interface between two media. Anomalous reflection and refraction phenomena are observed in this regime in optically thin arrays of metallic antennas on silicon with a linear phase variation along the interface, which are in excellent agreement with generalized laws derived from Fermat's principle. Phase discontinuities provide great flexibility in the design of light beams, as illustrated by the generation of optical vortices through use of planar designer metallic interfaces.

Ferroelectric control of metal-insulator transition

NASA Astrophysics Data System (ADS)

He, Xu; Jin, Kui-juan; Ge, Chen; Ma, Zhong-shui; Yang, Guo-zhen

2016-03-01

We propose a method of controlling the metal-insulator transition of one perovskite material at its interface with another ferroelectric material based on first principle calculations. The operating principle is that the rotation of oxygen octahedra tuned by the ferroelectric polarization can modulate the superexchange interaction in this perovskite. We designed a tri-color superlattice of (BiFeO3)N/LaNiO3/LaTiO3, in which the BiFeO3 layers are ferroelectric, the LaNiO3 layer is the layer of which the electronic structure is to be tuned, and LaTiO3 layer is inserted to enhance the inversion asymmetry. By reversing the ferroelectric polarization in this structure, there is a metal-insulator transition of the LaNiO3 layer because of the changes of crystal field splitting of the Ni eg orbitals and the bandwidth of the Ni in-plane eg orbital. It is highly expected that a metal-transition can be realized by designing the structures at the interfaces for more materials.

Adsorption of organic molecules on mineral surfaces studied by first-principle calculations: A review.

PubMed

Zhao, Hongxia; Yang, Yong; Shu, Xin; Wang, Yanwei; Ran, Qianping

2018-04-09

First-principle calculations, especially by the density functional theory (DFT) methods, are becoming a power technique to study molecular structure and properties of organic/inorganic interfaces. This review introduces some recent examples on the study of adsorption models of organic molecules or oligomers on mineral surfaces and interfacial properties obtained from first-principles calculations. The aim of this contribution is to inspire scientists to benefit from first-principle calculations and to apply the similar strategies when studying and tailoring interfacial properties at the atomistic scale, especially for those interested in the design and development of new molecules and new products. Copyright © 2017. Published by Elsevier B.V.

Design of virtual SCADA simulation system for pressurized water reactor

NASA Astrophysics Data System (ADS)

Wijaksono, Umar; Abdullah, Ade Gafar; Hakim, Dadang Lukman

2016-02-01

The Virtual SCADA system is a software-based Human-Machine Interface that can visualize the process of a plant. This paper described the results of the virtual SCADA system design that aims to recognize the principle of the Nuclear Power Plant type Pressurized Water Reactor. This simulation uses technical data of the Nuclear Power Plant Unit Olkiluoto 3 in Finland. This device was developed using Wonderware Intouch, which is equipped with manual books for each component, animation links, alarm systems, real time and historical trending, and security system. The results showed that in general this device can demonstrate clearly the principles of energy flow and energy conversion processes in Pressurized Water Reactors. This virtual SCADA simulation system can be used as instructional media to recognize the principle of Pressurized Water Reactor.

Identification of task demands and usability issues in police use of mobile computing terminals.

PubMed

Zahabi, Maryam; Kaber, David

2018-01-01

Crash reports from various states in the U.S. have shown high numbers of emergency vehicle crashes, especially in law enforcement situations. This study identified the perceived importance and frequency of police mobile computing terminal (MCT) tasks, quantified the demands of different tasks using a cognitive performance modeling methodology, identified usability violations of current MCT interface designs, and formulated design recommendations for an enhanced interface. Results revealed that "access call notes", "plate number check" and "find location on map" are the most important and frequently performed tasks for officers. "Reading plate information" was also found to be the most visually and cognitively demanding task-method. Usability principles of "using simple and natural dialog" and "minimizing user memory load" were violated by the current MCT interface design. The enhanced design showed potential for reducing cognitive demands and task completion time. Findings should be further validated using a driving simulation study. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ecological Interface Design for Computer Network Defense.

PubMed

Bennett, Kevin B; Bryant, Adam; Sushereba, Christen

2018-05-01

A prototype ecological interface for computer network defense (CND) was developed. Concerns about CND run high. Although there is a vast literature on CND, there is some indication that this research is not being translated into operational contexts. Part of the reason may be that CND has historically been treated as a strictly technical problem, rather than as a socio-technical problem. The cognitive systems engineering (CSE)/ecological interface design (EID) framework was used in the analysis and design of the prototype interface. A brief overview of CSE/EID is provided. EID principles of design (i.e., direct perception, direct manipulation and visual momentum) are described and illustrated through concrete examples from the ecological interface. Key features of the ecological interface include (a) a wide variety of alternative visual displays, (b) controls that allow easy, dynamic reconfiguration of these displays, (c) visual highlighting of functionally related information across displays, (d) control mechanisms to selectively filter massive data sets, and (e) the capability for easy expansion. Cyber attacks from a well-known data set are illustrated through screen shots. CND support needs to be developed with a triadic focus (i.e., humans interacting with technology to accomplish work) if it is to be effective. Iterative design and formal evaluation is also required. The discipline of human factors has a long tradition of success on both counts; it is time that HF became fully involved in CND. Direct application in supporting cyber analysts.

Strain-induced phase and oxygen-vacancy stability in ionic interfaces from first-principles calculations

DOE PAGES

Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; ...

2014-12-03

Understanding interfacial chemistry is becoming crucial in materials design for heterointerfaces. Using density functional theory, we elucidate the effect of strained interfaces on phase and oxygen-vacancy stability for CeO2 | ZrO2, ThO2 | ZrO2 and CeO2 | ThO2 interfaces. The calculations show that ZrO2 transforms from cubic fluorite to the orthorhombic columbite under tensile strain providing evidence of a previous experimental speculation of an unrecognized ZrO2 phase. We also show that oxygen vacancies could be preferably stabilized on either side of the interface by manipulating strain. We predict that they are stable in tensile-strain, and unstable in compressivestrained materials.

Battery electric vehicles - implications for the driver interface.

PubMed

Neumann, Isabel; Krems, Josef F

2016-03-01

The current study examines the human-machine interface of a battery electric vehicle (BEV) from a user-perspective, focussing on the evaluation of BEV-specific displays, the relevance of provided information and challenges for drivers due to the concept of electricity in a road vehicle. A sample of 40 users drove a BEV for 6 months. Data were gathered at three points of data collection. Participants perceived the BEV-specific displays as only moderately reliable and helpful for estimating the displayed parameters. This was even less the case after driving the BEV for 3 months. A taxonomy of user requirements was compiled revealing the need for improved and additional information, especially regarding energy consumption and efficiency. Drivers had difficulty understanding electrical units and the energy consumption of the BEV. On the background of general principles for display design, results provide implications how to display relevant information and how to facilitate drivers' understanding of energy consumption in BEVs. Practitioner Summary: Battery electric vehicle (BEV) displays need to incorporate new information. A taxonomy of user requirements was compiled revealing the need for improved and additional information in the BEV interface. Furthermore, drivers had trouble understanding electrical units and energy consumption; therefore, appropriate assistance is required. Design principles which are specifically important in the BEV context are discussed.

Applying Virtual Rehearsal Principle in Developing a Persuasive Multimedia Learning Environment (PMLE)

NASA Astrophysics Data System (ADS)

Jaafar, Wan Ahmad; Nur, Sobihatun

This paper is outlining the potential use of virtual environment in persuading through computer simulation. The main focus of the paper is to apply an attempt of how virtual rehearsal principle can be designed into educational material using CD ROM based multimedia application to persuade as well as to reduce children dental anxiety particularly in Malaysian children context. This paper divided in three stages. Firstly, we provide a conceptual background of virtual rehearsal principle and how the principle has been applied in designing the information interfaces and presentation of a persuasive multimedia learning environment (PMLE). Secondly, the research design was administered to measure the effects of the PMLE in reducing children dental anxiety. Primary school children age between seven and nine years old are selected as respondents. Thirdly, the result of the study has revealed the feedback from children regarding baseline test and children dental anxiety test. The results on presenting this PMLE to primary school children show how it was able to reduce children dental anxiety and could let the children have a "mentally-prepared" condition for dental visit in the future.

Design of virtual SCADA simulation system for pressurized water reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wijaksono, Umar, E-mail: umar.wijaksono@student.upi.edu; Abdullah, Ade Gafar; Hakim, Dadang Lukman

The Virtual SCADA system is a software-based Human-Machine Interface that can visualize the process of a plant. This paper described the results of the virtual SCADA system design that aims to recognize the principle of the Nuclear Power Plant type Pressurized Water Reactor. This simulation uses technical data of the Nuclear Power Plant Unit Olkiluoto 3 in Finland. This device was developed using Wonderware Intouch, which is equipped with manual books for each component, animation links, alarm systems, real time and historical trending, and security system. The results showed that in general this device can demonstrate clearly the principles ofmore » energy flow and energy conversion processes in Pressurized Water Reactors. This virtual SCADA simulation system can be used as instructional media to recognize the principle of Pressurized Water Reactor.« less

Exploring the bases for a mixed reality stroke rehabilitation system, Part I: A unified approach for representing action, quantitative evaluation, and interactive feedback

PubMed Central

2011-01-01

Background Although principles based in motor learning, rehabilitation, and human-computer interfaces can guide the design of effective interactive systems for rehabilitation, a unified approach that connects these key principles into an integrated design, and can form a methodology that can be generalized to interactive stroke rehabilitation, is presently unavailable. Results This paper integrates phenomenological approaches to interaction and embodied knowledge with rehabilitation practices and theories to achieve the basis for a methodology that can support effective adaptive, interactive rehabilitation. Our resulting methodology provides guidelines for the development of an action representation, quantification of action, and the design of interactive feedback. As Part I of a two-part series, this paper presents key principles of the unified approach. Part II then describes the application of this approach within the implementation of the Adaptive Mixed Reality Rehabilitation (AMRR) system for stroke rehabilitation. Conclusions The accompanying principles for composing novel mixed reality environments for stroke rehabilitation can advance the design and implementation of effective mixed reality systems for the clinical setting, and ultimately be adapted for home-based application. They furthermore can be applied to other rehabilitation needs beyond stroke. PMID:21875441

Non-random walk diffusion enhances the sink strength of semicoherent interfaces

DOE PAGES

Vattré, A.; Jourdan, T.; Ding, H.; ...

2016-01-29

Clean, safe and economical nuclear energy requires new materials capable of withstanding severe radiation damage. One strategy of imparting radiation resistance to solids is to incorporate into them a high density of solid-phase interfaces capable of absorbing and annihilating radiation-induced defects. Here we show that elastic interactions between point defects and semicoherent interfaces lead to a marked enhancement in interface sink strength. Our conclusions stem from simulations that integrate first principles, object kinetic Monte Carlo and anisotropic elasticity calculations. Surprisingly, the enhancement in sink strength is not due primarily to increased thermodynamic driving forces, but rather to reduced defect migrationmore » barriers, which induce a preferential drift of defects towards interfaces. The sink strength enhancement is highly sensitive to the detailed character of interfacial stresses, suggesting that ‘super-sink’ interfaces may be designed by optimizing interface stress fields. Lastly, such interfaces may be used to create materials with unprecedented resistance to radiation-induced damage.« less

Self-assembly of triangular particles via capillary interactions

NASA Astrophysics Data System (ADS)

Bedi, Deshpreet; Zhou, Shangnan; Ferrar, Joseph; Solomon, Michael; Mao, Xiaoming

Colloidal particles adsorbed to a fluid interface deform the interface around them, resulting in either attractive or repulsive forces mediated by the interface. In particular, particle shape and surface roughness can produce an undulating contact line, such that the particles will assume energetically-favorable relative orientations and inter-particle distances to minimize the excess interfacial surface area. By expediently selecting specific particle shapes and associated design parameters, capillary interactions can be utilized to promote self-assembly of these particles into extended regular open structures, such as the kagome lattice, which have novel mechanical properties. We present the results of numerical simulations of equilateral triangle microprisms at an interface, including individually and in pairs. We show how particle bowing can yield two distinct binding events and connect it to theory in terms of a capillary multipole expansion and also to experiment, as presented in an accompanying talk. We also discuss and suggest design principles that can be used to create desirable open structures.

Adhesion mechanisms of bituminous crack sealant to aggregate and laboratory test development

NASA Astrophysics Data System (ADS)

Hajialiakbari Fini, Elham

Crack sealing is a common pavement maintenance treatment because it extends pavement service life. However, crack sealant often fails prematurely due to a loss of adhesion. Since current test methods are mostly empirical and only provide a qualitative measure of bond strength, they cannot predict sealant adhesive failure accurately. Hence, there is an urgent need for test methods based on bituminous sealant rheology that can better predict sealant field performance. This study introduces three laboratory tests aimed to assess the bond property of hot-poured crack sealant to pavement crack walls. The three tests are designed to serve the respective needs of producers, engineers, and researchers. The first test implements the principle of surface energy to measure the thermodynamic work of adhesion, which is the energy spent in separating the two materials at the interface. The work of adhesion is reported as a measure of material compatibility at an interface. The second test is a direct adhesion test, a mechanical test which is designed to closely resemble both the installation process and the crack expansion due to thermal loading. This test uses the Direct Tension Test (DTT) device. The principle of the test is to apply a tensile force to detach the sealant from its aggregate counterpart. The maximum load, Pmax, and the energy to separation, E, are calculated and reported to indicate interface bonding. The third test implements the principles of fracture mechanics in a pressurized circular blister test. The apparatus is specifically designed to conduct the test for bituminous crack sealant, asphalt binder, or other bitumen-based materials. In this test, a fluid is injected at a constant rate at the interface between the substrate (aggregate or a standard material) and the adhesive (crack sealant) to create a blister. The fluid pressure and blister height are measured as functions of time; the data is used to calculate Interfacial Fracture Energy (IFE), which is a fundamental property that can be used to predict adhesion. The stable interface debonding process makes this test attractive. This test also may be used to estimate the optimum annealing time, and to quantify other interface characteristics, such as the moisture susceptibility of a bond. In addition, the elastic modulus of the sealant and its residual stresses can be determined analytically. While the direct adhesion test is proposed as part of newly-developed performance-based guidelines for the selection of hot-poured crack sealant, the blister test may be used to estimate the optimum annealing time, in addition to IFE determination.

Modified Universal Design Survey: Enhancing Operability of Launch Vehicle Ground Crew Worksites

NASA Technical Reports Server (NTRS)

Blume, Jennifer L.

2010-01-01

Operability is a driving requirement for next generation space launch vehicles. Launch site ground operations include numerous operator tasks to prepare the vehicle for launch or to perform preflight maintenance. Ensuring that components requiring operator interaction at the launch site are designed for optimal human use is a high priority for operability. To promote operability, a Design Quality Evaluation Survey based on Universal Design framework was developed to support Human Factors Engineering (HFE) evaluation for NASA s launch vehicles. Universal Design per se is not a priority for launch vehicle processing however; applying principles of Universal Design will increase the probability of an error free and efficient design which promotes operability. The Design Quality Evaluation Survey incorporates and tailors the seven Universal Design Principles and adds new measures for Safety and Efficiency. Adapting an approach proven to measure Universal Design Performance in Product, each principle is associated with multiple performance measures which are rated with the degree to which the statement is true. The Design Quality Evaluation Survey was employed for several launch vehicle ground processing worksite analyses. The tool was found to be most useful for comparative judgments as opposed to an assessment of a single design option. It provided a useful piece of additional data when assessing possible operator interfaces or worksites for operability.

Design principles for hydrogen evolution reaction catalyst materials

DOE PAGES

Strmcnik, Dusan; Lopes, Pietro Papa; Genorio, Bostjan; ...

2016-04-19

Design and synthesis of active, stable and cost-effective materials for efficient hydrogen production (hydrogen evolution reaction, HER) is of paramount importance for the successful deployment of hydrogen -based alternative energy technologies. The HER, seemingly one of the simplest electrochemical reactions, has served for decades to bridge the gap between fundamental electrocatalysis and practical catalyst design. However, there are still many open questions that need to be answered before it would be possible to claim that design principles of catalyst materials are fully developed for the efficient hydrogen production. Here in this review, by summarizing key results for the HER onmore » well-characterized electrochemical interfaces in acidic and alkaline media, we have broadened our understanding of the HER in the whole range of pH by considering three main parameters: the nature of the proton donor (H 3O + in acid and H 2O in alkaline), the energy of adsorption of H ad and OH ad, and the presence of spectator species. Simply by considering these three parameters we show that great deal has already been learned and new trends are beginning to emerge, giving some predictive ability with respect to the nature of electrochemical interface and electrocatalytic activity of the HER.« less

Terminating DNA Tile Assembly with Nanostructured Caps.

PubMed

Agrawal, Deepak K; Jiang, Ruoyu; Reinhart, Seth; Mohammed, Abdul M; Jorgenson, Tyler D; Schulman, Rebecca

2017-10-24

Precise control over the nucleation, growth, and termination of self-assembly processes is a fundamental tool for controlling product yield and assembly dynamics. Mechanisms for altering these processes programmatically could allow the use of simple components to self-assemble complex final products or to design processes allowing for dynamic assembly or reconfiguration. Here we use DNA tile self-assembly to develop general design principles for building complexes that can bind to a growing biomolecular assembly and terminate its growth by systematically characterizing how different DNA origami nanostructures interact with the growing ends of DNA tile nanotubes. We find that nanostructures that present binding interfaces for all of the binding sites on a growing facet can bind selectively to growing ends and stop growth when these interfaces are presented on either a rigid or floppy scaffold. In contrast, nucleation of nanotubes requires the presentation of binding sites in an arrangement that matches the shape of the structure's facet. As a result, it is possible to build nanostructures that can terminate the growth of existing nanotubes but cannot nucleate a new structure. The resulting design principles for constructing structures that direct nucleation and termination of the growth of one-dimensional nanostructures can also serve as a starting point for programmatically directing two- and three-dimensional crystallization processes using nanostructure design.

Sensors, Volume 1, Fundamentals and General Aspects

NASA Astrophysics Data System (ADS)

Grandke, Thomas; Ko, Wen H.

1996-12-01

'Sensors' is the first self-contained series to deal with the whole area of sensors. It describes general aspects, technical and physical fundamentals, construction, function, applications and developments of the various types of sensors. This volume deals with the fundamentals and common principles of sensors and covers the wide areas of principles, technologies, signal processing, and applications. Contents include: Sensor Fundamentals, e.g. Sensor Parameters, Modeling, Design and Packaging; Basic Sensor Technologies, e.g. Thin and Thick Films, Integrated Magnetic Sensors, Optical Fibres and Intergrated Optics, Ceramics and Oxides; Sensor Interfaces, e.g. Signal Processing, Multisensor Signal Processing, Smart Sensors, Interface Systems; Sensor Applications, e.g. Automotive: On-board Sensors, Traffic Surveillance and Control, Home Appliances, Environmental Monitoring, etc. This volume is an indispensable reference work and text book for both specialits and newcomers, researchers and developers.

Thermodynamic geometry of minimum-dissipation driven barrier crossing

NASA Astrophysics Data System (ADS)

Sivak, David A.; Crooks, Gavin E.

2016-11-01

We explore the thermodynamic geometry of a simple system that models the bistable dynamics of nucleic acid hairpins in single molecule force-extension experiments. Near equilibrium, optimal (minimum-dissipation) driving protocols are governed by a generalized linear response friction coefficient. Our analysis demonstrates that the friction coefficient of the driving protocols is sharply peaked at the interface between metastable regions, which leads to minimum-dissipation protocols that drive rapidly within a metastable basin, but then linger longest at the interface, giving thermal fluctuations maximal time to kick the system over the barrier. Intuitively, the same principle applies generically in free energy estimation (both in steered molecular dynamics simulations and in single-molecule experiments), provides a design principle for the construction of thermodynamically efficient coupling between stochastic objects, and makes a prediction regarding the construction of evolved biomolecular motors.

Thermodynamic geometry of minimum-dissipation driven barrier crossing

NASA Astrophysics Data System (ADS)

Sivak, David; Crooks, Gavin

We explore the thermodynamic geometry of a simple system that models the bistable dynamics of nucleic acid hairpins in single molecule force-extension experiments. Near equilibrium, optimal (minimum-dissipation) driving protocols are governed by a generalized linear response friction coefficient. Our analysis demonstrates that the friction coefficient of the driving protocols is sharply peaked at the interface between metastable regions, which leads to minimum-dissipation protocols that drive rapidly within a metastable basin, but then linger longest at the interface, giving thermal fluctuations maximal time to kick the system over the barrier. Intuitively, the same principle applies generically in free energy estimation (both in steered molecular dynamics simulations and in single-molecule experiments), provides a design principle for the construction of thermodynamically efficient coupling between stochastic objects, and makes a prediction regarding the construction of evolved biomolecular motors.

Seniors and technology, ergonomic needs and design considerations.

PubMed

Rodríguez, Claudia Isabel Rojas

2012-01-01

This work is based on the ergonomic approach and the principles of universal design, with the aim of establishing the cognitive design features that interfaces must comply, for older adults achieve a good performance during their interaction with technological aids. Describes the analysis of exploratory experiences with a group of 17 older adults was aimed first to establish the main barriers to implementation that arise during these activities, and secondly to set the variables to be addressed and the procedure required to develop depth study, where the relationship establish between the quality of the stimuli and the level of performance achieved in the implementation of older adults with interfaces, observing each of the cognitive functions that promote independence, attention, motivation, memory these processes. The study in depth, looking for describe gaps and mismatches encountered during execution, which hamper the harmonious interaction processes through participatory methodological approach that allows to specify requirements for the creation of stimulating interfaces for cognitive skills and committed with the levels of autonomy of the elderly.

The modular architecture of protein-protein binding interfaces.

PubMed

Reichmann, D; Rahat, O; Albeck, S; Meged, R; Dym, O; Schreiber, G

2005-01-04

Protein-protein interactions are essential for life. Yet, our understanding of the general principles governing binding is not complete. In the present study, we show that the interface between proteins is built in a modular fashion; each module is comprised of a number of closely interacting residues, with few interactions between the modules. The boundaries between modules are defined by clustering the contact map of the interface. We show that mutations in one module do not affect residues located in a neighboring module. As a result, the structural and energetic consequences of the deletion of entire modules are surprisingly small. To the contrary, within their module, mutations cause complex energetic and structural consequences. Experimentally, this phenomenon is shown on the interaction between TEM1-beta-lactamase and beta-lactamase inhibitor protein (BLIP) by using multiple-mutant analysis and x-ray crystallography. Replacing an entire module of five interface residues with Ala created a large cavity in the interface, with no effect on the detailed structure of the remaining interface. The modular architecture of binding sites, which resembles human engineering design, greatly simplifies the design of new protein interactions and provides a feasible view of how these interactions evolved.

Collaborating with human factors when designing an electronic textbook

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ratner, J.A.; Zadoks, R.I.; Attaway, S.W.

The development of on-line engineering textbooks presents new challenges to authors to effectively integrate text and tools in an electronic environment. By incorporating human factors principles of interface design and cognitive psychology early in the design process, a team at Sandia National Laboratories was able to make the end product more usable and shorten the prototyping and editing phases. A critical issue was simultaneous development of paper and on-line versions of the textbook. In addition, interface consistency presented difficulties with distinct goals and limitations for each media. Many of these problems were resolved swiftly with human factors input using templates,more » style guides and iterative usability testing of both paper and on-line versions. Writing style continuity was also problematic with numerous authors contributing to the text.« less

Lunar exploration rover program developments

NASA Technical Reports Server (NTRS)

Klarer, P. R.

1994-01-01

The Robotic All Terrain Lunar Exploration Rover (RATLER) design concept began at Sandia National Laboratories in late 1991 with a series of small, proof-of-principle, working scale models. The models proved the viability of the concept for high mobility through mechanical simplicity, and eventually received internal funding at Sandia National Laboratories for full scale, proof-of-concept prototype development. Whereas the proof-of-principle models demonstrated the mechanical design's capabilities for mobility, the full scale proof-of-concept design currently under development is intended to support field operations for experiments in telerobotics, autonomous robotic operations, telerobotic field geology, and advanced man-machine interface concepts. The development program's current status is described, including an outline of the program's work over the past year, recent accomplishments, and plans for follow-on development work.

A microprogrammed data acquisition system for renography.

PubMed

Imperiale, C

1983-01-01

The purpose of this project was to design an efficient, low cost, and portable system for renography suitable for clinical use. The principles involved in the renographic test, and the procedures and calculations which act on the design of our system, are given. The system consists of an Apple II Plus computer equipped with 48K memory, two disk drives with diskettes of 143K each, a thermal printer with graphic capability, the Microsoft Z80 card, and an interface which is specifically designed for renographic data acquisition.

Getting Real: A General Chemistry Laboratory Program Focusing on "Real World" Substances.

ERIC Educational Resources Information Center

Kerber, Robert C.; Akhtar, Mohammad J.

1996-01-01

Describes a freshman laboratory program designed to interface between the substances that surround students in their ordinary lives and abstract principles presented in chemistry classrooms. Course organization is based on the nature of the materials themselves, which include household chemicals such as hydrogen peroxide, food and beverages, pills…

Liquid lens enabling real-time focus and tilt compensation for optical image stabilization in camera modules

NASA Astrophysics Data System (ADS)

Simon, Eric; Craen, Pierre; Gaton, Hilario; Jacques-Sermet, Olivier; Laune, Frédéric; Legrand, Julien; Maillard, Mathieu; Tallaron, Nicolas; Verplanck, Nicolas; Berge, Bruno

2010-05-01

A new generation of liquid lenses based on electrowetting has been developed, using a multi-electrode design, enabling to induce optical tilt and focus corrections in the same component. The basic principle is to rely on a conical shape for supporting the liquid interface, the conical shape insuring a restoring force for the liquid liquid interface to come at the center position. The multi-electrode design enables to induce an average tilt of the liquid liquid interface when a bias voltage is applied to the different electrodes. This tilt is reversible, vanishing when voltage bias is cancelled. Possible application of this new lens component is the realization of miniature camera featuring auto-focus and optical image stabilization (OIS) without any mobile mechanical part. Experimental measurements of actual performances of liquid lens component will be presented : focus and tilt amplitude, residual optical wave front error and response time.

Ubiquitous computing to support co-located clinical teams: using the semiotics of physical objects in system design.

PubMed

Bang, Magnus; Timpka, Toomas

2007-06-01

Co-located teams often use material objects to communicate messages in collaboration. Modern desktop computing systems with abstract graphical user interface (GUIs) fail to support this material dimension of inter-personal communication. The aim of this study is to investigate how tangible user interfaces can be used in computer systems to better support collaborative routines among co-located clinical teams. The semiotics of physical objects used in team collaboration was analyzed from data collected during 1 month of observations at an emergency room. The resulting set of communication patterns was used as a framework when designing an experimental system. Following the principles of augmented reality, physical objects were mapped into a physical user interface with the goal of maintaining the symbolic value of those objects. NOSTOS is an experimental ubiquitous computing environment that takes advantage of interaction devices integrated into the traditional clinical environment, including digital pens, walk-up displays, and a digital desk. The design uses familiar workplace tools to function as user interfaces to the computer in order to exploit established cognitive and collaborative routines. Paper-based tangible user interfaces and digital desks are promising technologies for co-located clinical teams. A key issue that needs to be solved before employing such solutions in practice is associated with limited feedback from the passive paper interfaces.

Imaging at an x-ray absorption edge using free electron laser pulses for interface dynamics in high energy density systems [Resonant phase contrast imaging for interface physics

DOE PAGES

Beckwith, M. A.; Jiang, S.; Schropp, A.; ...

2017-05-01

Tuning the energy of an x-ray probe to an absorption line or edge can provide material-specific measurements that are particularly useful for interfaces. Simulated hard x-ray images above the Fe K-edge are presented to examine ion diffusion across an interface between Fe 2O 3 and SiO 2 aerogel foam materials. The simulations demonstrate the feasibility of such a technique for measurements of density scale lengths near the interface with submicron spatial resolution. A proof-of-principle experiment is designed and performed at the Linac coherent light source facility. Preliminary data show the change of the interface after shock compression and heating withmore » simultaneous fluorescence spectra for temperature determination. Here, the results provide the first demonstration of using x-ray imaging at an absorption edge as a diagnostic to detect ultrafast phenomena for interface physics in high-energy-density systems.« less

Modelling heterogeneous interfaces for solar water splitting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pham, Tuan Anh; Ping, Yuan; Galli, Giulia

2017-01-09

The generation of hydrogen from water and sunlight others a promising approach for producing scalable and sustainable carbon-free energy. The key of a successful solar-to-fuel technology is the design of efficient, long-lasting and low-cost photoelectrochemical cells, which are responsible for absorbing sunlight and driving water splitting reactions. To this end, a detailed understanding and control of heterogeneous interfaces between photoabsorbers, electrolytes and catalysts present in photoelectrochemical cells is essential. Here we review recent progress and open challenges in predicting physicochemical properties of heterogeneous interfaces for solar water splitting applications using first-principles-based approaches, and highlights the key role of these calculationsmore » in interpreting increasingly complex experiments.« less

Software handlers for process interfaces

NASA Technical Reports Server (NTRS)

Bercaw, R. W.

1976-01-01

The principles involved in the development of software handlers for custom interfacing problems are discussed. Handlers for the CAMAC standard are examined in detail. The types of transactions that must be supported have been established by standards groups, eliminating conflicting requirements arising out of different design philosophies and applications. Implementation of the standard handlers has been facilititated by standardization of hardware. The necessary local processors can be placed in the handler when it is written or at run time by means of input/output directives, or they can be built into a high-performance input/output processor. The full benefits of these process interfaces will only be realized when software requirements are incorporated uniformly into the hardware.

Microfabricated Tactile Sensors for Biomedical Applications: A Review

PubMed Central

Saccomandi, Paola; Schena, Emiliano; Oddo, Calogero Maria; Zollo, Loredana; Silvestri, Sergio; Guglielmelli, Eugenio

2014-01-01

During the last decades, tactile sensors based on different sensing principles have been developed due to the growing interest in robotics and, mainly, in medical applications. Several technological solutions have been employed to design tactile sensors; in particular, solutions based on microfabrication present several attractive features. Microfabrication technologies allow for developing miniaturized sensors with good performance in terms of metrological properties (e.g., accuracy, sensitivity, low power consumption, and frequency response). Small size and good metrological properties heighten the potential role of tactile sensors in medicine, making them especially attractive to be integrated in smart interfaces and microsurgical tools. This paper provides an overview of microfabricated tactile sensors, focusing on the mean principles of sensing, i.e., piezoresistive, piezoelectric and capacitive sensors. These sensors are employed for measuring contact properties, in particular force and pressure, in three main medical fields, i.e., prosthetics and artificial skin, minimal access surgery and smart interfaces for biomechanical analysis. The working principles and the metrological properties of the most promising tactile, microfabricated sensors are analyzed, together with their application in medicine. Finally, the new emerging technologies in these fields are briefly described. PMID:25587432

Microfabricated tactile sensors for biomedical applications: a review.

PubMed

Saccomandi, Paola; Schena, Emiliano; Oddo, Calogero Maria; Zollo, Loredana; Silvestri, Sergio; Guglielmelli, Eugenio

2014-12-01

During the last decades, tactile sensors based on different sensing principles have been developed due to the growing interest in robotics and, mainly, in medical applications. Several technological solutions have been employed to design tactile sensors; in particular, solutions based on microfabrication present several attractive features. Microfabrication technologies allow for developing miniaturized sensors with good performance in terms of metrological properties (e.g., accuracy, sensitivity, low power consumption, and frequency response). Small size and good metrological properties heighten the potential role of tactile sensors in medicine, making them especially attractive to be integrated in smart interfaces and microsurgical tools. This paper provides an overview of microfabricated tactile sensors, focusing on the mean principles of sensing, i.e., piezoresistive, piezoelectric and capacitive sensors. These sensors are employed for measuring contact properties, in particular force and pressure, in three main medical fields, i.e., prosthetics and artificial skin, minimal access surgery and smart interfaces for biomechanical analysis. The working principles and the metrological properties of the most promising tactile, microfabricated sensors are analyzed, together with their application in medicine. Finally, the new emerging technologies in these fields are briefly described.

Electrowetting-actuated zoom lens with spherical-interface liquid lenses.

PubMed

Peng, Runling; Chen, Jiabi; Zhuang, Songlin

2008-11-01

The interface shape of two immiscible liquids in a conical chamber is discussed. The analytical solution of the differential equation describing the interface shape shows that the interface shape is completely spherical when the density difference of two liquids is zero. On the basis of the spherical-interface shape and an energy-minimization method, explicit calculations and detailed analyses of an extended Young-type equation for the conical double-liquid lens are given. Finally, a novel design of a zoom lens system without motorized movements is proposed. The lens system consists of a fixed lens and two conical double-liquid variable-focus lenses. The structure and principle of the lens system are introduced in this paper. Taking finite objects as example, detailed calculations and simulation examples are presented to predict how two liquid lenses are related to meet the basic requirements of zoom lenses.

A Novel Design for Drug-Drug Interaction Alerts Improves Prescribing Efficiency.

PubMed

Russ, Alissa L; Chen, Siying; Melton, Brittany L; Johnson, Elizabette G; Spina, Jeffrey R; Weiner, Michael; Zillich, Alan J

2015-09-01

Drug-drug interactions (DDIs) are common in clinical care and pose serious risks for patients. Electronic health records display DDI alerts that can influence prescribers, but the interface design of DDI alerts has largely been unstudied. In this study, the objective was to apply human factors engineering principles to alert design. It was hypothesized that redesigned DDI alerts would significantly improve prescribers' efficiency and reduce prescribing errors. In a counterbalanced, crossover study with prescribers, two DDI alert designs were evaluated. Department of Veterans Affairs (VA) prescribers were video recorded as they completed fictitious patient scenarios, which included DDI alerts of varying severity. Efficiency was measured from time-stamped recordings. Prescribing errors were evaluated against predefined criteria. Efficiency and prescribing errors were analyzed with the Wilcoxon signed-rank test. Other usability data were collected on the adequacy of alert content, prescribers' use of the DDI monograph, and alert navigation. Twenty prescribers completed patient scenarios for both designs. Prescribers resolved redesigned alerts in about half the time (redesign: 52 seconds versus original design: 97 seconds; p<.001). Prescribing errors were not significantly different between the two designs. Usability results indicate that DDI alerts might be enhanced by facilitating easier access to laboratory data and dosing information and by allowing prescribers to cancel either interacting medication directly from the alert. Results also suggest that neither design provided adequate information for decision making via the primary interface. Applying human factors principles to DDI alerts improved overall efficiency. Aspects of DDI alert design that could be further enhanced prior to implementation were also identified.

Optimized nanoporous materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Braun, Paul V.; Langham, Mary Elizabeth; Jacobs, Benjamin W.

2009-09-01

Nanoporous materials have maximum practical surface areas for electrical charge storage; every point in an electrode is within a few atoms of an interface at which charge can be stored. Metal-electrolyte interfaces make best use of surface area in porous materials. However, ion transport through long, narrow pores is slow. We seek to understand and optimize the tradeoff between capacity and transport. Modeling and measurements of nanoporous gold electrodes has allowed us to determine design principles, including the fact that these materials can deplete salt from the electrolyte, increasing resistance. We have developed fabrication techniques to demonstrate architectures inspired bymore » these principles that may overcome identified obstacles. A key concept is that electrodes should be as close together as possible; this is likely to involve an interpenetrating pore structure. However, this may prove extremely challenging to fabricate at the finest scales; a hierarchically porous structure can be a worthy compromise.« less

Design Principles for Rapid Prototyping Forces Sensors using 3D Printing.

PubMed

Kesner, Samuel B; Howe, Robert D

2011-07-21

Force sensors provide critical information for robot manipulators, manufacturing processes, and haptic interfaces. Commercial force sensors, however, are generally not adapted to specific system requirements, resulting in sensors with excess size, cost, and fragility. To overcome these issues, 3D printers can be used to create components for the quick and inexpensive development of force sensors. Limitations of this rapid prototyping technology, however, require specialized design principles. In this paper, we discuss techniques for rapidly developing simple force sensors, including selecting and attaching metal flexures, using inexpensive and simple displacement transducers, and 3D printing features to aid in assembly. These design methods are illustrated through the design and fabrication of a miniature force sensor for the tip of a robotic catheter system. The resulting force sensor prototype can measure forces with an accuracy of as low as 2% of the 10 N measurement range.

Defect states at organic-inorganic interfaces: Insight from first principles calculations for pentaerythritol tetranitrate on MgO surface

NASA Astrophysics Data System (ADS)

Tsyshevsky, Roman V.; Rashkeev, Sergey N.; Kuklja, Maija M.

2015-07-01

Light-responsive organic-inorganic interfaces offer experimental opportunities that are otherwise difficult to achieve. Since laser light can be manipulated very precisely, it becomes possible to engineer selective, predictive, and highly controlled interface properties. Photochemistry of organic-inorganic energetic interfaces is a rapidly emerging research field in which energy absorption and interface stability mechanisms have yet to be established. To explore the interaction of the laser irradiation with molecular materials, we performed first principle calculations of a prototype organic-inorganic interface between a nitroester (pentaerythritol tetranitrate, PETN, C5H8N4O12) and a magnesium oxide (MgO) surface. We found that the light absorption is defined by the band alignment between interface components and interfacial charge transfer coupled with electronic states in the band gap, generated by oxide surface defects. Hence the choice of an oxide substrate and its morphology makes the optical absorption tunable and governs both the energy accumulation and energy release at the interface. The obtained results offer a possible consistent interpretation of experiments on selective laser initiation of energetic materials, which reported that the presence of metal oxide additives triggered the photoinitiation by excitation energy much lower than the band gap. We suggest that PETN photodecomposition is catalyzed by oxygen vacancies (F0 centers) at the MgO surface. Our conclusions predict ways for a complete separation of thermo- and photo-stimulated interface chemistry of molecular materials, which is imperative for highly controllable fast decomposition and was not attainable before. The methodology described here can be applied to any type of molecular material/wide band gap dielectric interfaces. It provides a solid basis for novel design and targeted improvements of organic-inorganic interfaces with desired properties that promise to enable vastly new concepts of energy storage and conversion, photocatalysis, and molecular electronics.

Structural and mechanical design of tissue interfaces in the giant reed Arundo donax.

PubMed

Rüggeberg, Markus; Burgert, Ingo; Speck, Thomas

2010-03-06

The culms of the giant reed Arundo donax represent slender tube-like structures. Several nodes along the culm, a ring of sclerenchymatous fibres in the periphery of the culm wall and numerous isolated vascular bundles enclosed by fibre rings in the culm wall function as stiffening elements. The bundles are embedded in lignified parenchyma. Micromechanical analysis indicated differences in stiffness between the individual tissues of more than one order of magnitude. In case of abrupt transitions in stiffness at the interfaces, stress discontinuities arise under dynamic loads. This eventually leads to critical shear stresses at cell ends, and culm failure may be initiated at these points. Pronounced mechanical differences between individual tissues can be compromised by gradual transitions at their interfaces. Ultrastructural and spectroscopic investigations with high spatial resolution revealed a gradual transition of cell parameters (cell wall area fraction and cell length). However, cell wall parameters (cellulose microfibril angle and lignin content) showed abrupt transitions or remained almost constant across the interfaces between various tissues. The design principles found at the interfaces between tissues in the culm walls of A. donax are discussed as an adaptation strategy to mechanical loads at different levels of hierarchy.

Structural and mechanical design of tissue interfaces in the giant reed Arundo donax

PubMed Central

Rüggeberg, Markus; Burgert, Ingo; Speck, Thomas

2010-01-01

The culms of the giant reed Arundo donax represent slender tube-like structures. Several nodes along the culm, a ring of sclerenchymatous fibres in the periphery of the culm wall and numerous isolated vascular bundles enclosed by fibre rings in the culm wall function as stiffening elements. The bundles are embedded in lignified parenchyma. Micromechanical analysis indicated differences in stiffness between the individual tissues of more than one order of magnitude. In case of abrupt transitions in stiffness at the interfaces, stress discontinuities arise under dynamic loads. This eventually leads to critical shear stresses at cell ends, and culm failure may be initiated at these points. Pronounced mechanical differences between individual tissues can be compromised by gradual transitions at their interfaces. Ultrastructural and spectroscopic investigations with high spatial resolution revealed a gradual transition of cell parameters (cell wall area fraction and cell length). However, cell wall parameters (cellulose microfibril angle and lignin content) showed abrupt transitions or remained almost constant across the interfaces between various tissues. The design principles found at the interfaces between tissues in the culm walls of A. donax are discussed as an adaptation strategy to mechanical loads at different levels of hierarchy. PMID:19726440

Integrated circuits and electrode interfaces for noninvasive physiological monitoring.

PubMed

Ha, Sohmyung; Kim, Chul; Chi, Yu M; Akinin, Abraham; Maier, Christoph; Ueno, Akinori; Cauwenberghs, Gert

2014-05-01

This paper presents an overview of the fundamentals and state of the-art in noninvasive physiological monitoring instrumentation with a focus on electrode and optrode interfaces to the body, and micropower-integrated circuit design for unobtrusive wearable applications. Since the electrode/optrode-body interface is a performance limiting factor in noninvasive monitoring systems, practical interface configurations are offered for biopotential acquisition, electrode-tissue impedance measurement, and optical biosignal sensing. A systematic approach to instrumentation amplifier (IA) design using CMOS transistors operating in weak inversion is shown to offer high energy and noise efficiency. Practical methodologies to obviate 1/f noise, counteract electrode offset drift, improve common-mode rejection ratio, and obtain subhertz high-pass cutoff are illustrated with a survey of the state-of-the-art IAs. Furthermore, fundamental principles and state-of-the-art technologies for electrode-tissue impedance measurement, photoplethysmography, functional near-infrared spectroscopy, and signal coding and quantization are reviewed, with additional guidelines for overall power management including wireless transmission. Examples are presented of practical dry-contact and noncontact cardiac, respiratory, muscle and brain monitoring systems, and their clinical applications.

The structural, electronic and optical properties of Au-ZnO interface structure from the first-principles calculation

NASA Astrophysics Data System (ADS)

Huo, Jin-Rong; Li, Lu; Cheng, Hai-Xia; Wang, Xiao-Xu; Zhang, Guo-Hua; Qian, Ping

2018-03-01

The interface structure, electronic and optical properties of Au-ZnO are studied using the first-principles calculation based on density functional theory (DFT). Given the interfacial distance, bonding configurations and terminated surface, we built the optimal interface structure and calculated the electronic and optical properties of the interface. The total density of states, partial electronic density of states, electric charge density and atomic populations (Mulliken) are also displayed. The results show that the electrons converge at O atoms at the interface, leading to a stronger binding of interfaces and thereby affecting the optical properties of interface structures. In addition, we present the binding energies of different interface structures. When the interface structure of Au-ZnO gets changed, furthermore, varying optical properties are exhibited.

Design principles for electrolytes and interfaces for stable lithium-metal batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tikekar, Mukul D.; Choudhury, Snehashis; Tu, Zhengyuan

2016-09-08

The future of electrochemical energy storage hinges on the advancement of science and technology that enables rechargeable batteries that utilize reactive metals as anodes. With specific capacity more than ten times that of the LiC6 anode used in present-day lithium-ion batteries, cells based on Li-metal anodes are of particular interest. Effective strategies for stabilizing the anode in such cells are now understood to be a requirement for progress on exceptional storage technologies, including Li–S and Li–O2 batteries. Multiple challenges—parasitic reactions of Li-metal with liquid electrolytes, unstable and dendritic electrodeposition, and dendrite-induced short circuits—derailed early efforts to commercialize such lithium-metal batteries.more » Here we consider approaches for rationally designing electrolytes and Li-metal/electrolyte interfaces for stable, dendrite-free operation of lithium-metal batteries. On the basis of fundamental understanding of the failure modes of reactive metal anodes, we discuss the key variables that govern the stability of electrodeposition at the Li anode and propose a universal framework for designing stable electrolytes and interfaces for lithium-metal batteries.« less

Design principles for electrolytes and interfaces for stable lithium-metal batteries

NASA Astrophysics Data System (ADS)

Tikekar, Mukul D.; Choudhury, Snehashis; Tu, Zhengyuan; Archer, Lynden A.

2016-09-01

The future of electrochemical energy storage hinges on the advancement of science and technology that enables rechargeable batteries that utilize reactive metals as anodes. With specific capacity more than ten times that of the LiC6 anode used in present-day lithium-ion batteries, cells based on Li-metal anodes are of particular interest. Effective strategies for stabilizing the anode in such cells are now understood to be a requirement for progress on exceptional storage technologies, including Li-S and Li-O2 batteries. Multiple challenges—parasitic reactions of Li-metal with liquid electrolytes, unstable and dendritic electrodeposition, and dendrite-induced short circuits—derailed early efforts to commercialize such lithium-metal batteries. Here we consider approaches for rationally designing electrolytes and Li-metal/electrolyte interfaces for stable, dendrite-free operation of lithium-metal batteries. On the basis of fundamental understanding of the failure modes of reactive metal anodes, we discuss the key variables that govern the stability of electrodeposition at the Li anode and propose a universal framework for designing stable electrolytes and interfaces for lithium-metal batteries.

Variable focus photographic lens without mechanical movements

NASA Astrophysics Data System (ADS)

Chen, Jiabi; Peng, Runling; Zhuang, Songlin

2007-09-01

A novel design of a zoom lens system without motorized movements is proposed. The lens system consists of a fixed lens and two double-liquid variable-focus lenses. The liquid lenses, made out of two immiscible liquids, are based on the principle of electrowetting: an effect controlling the wetting properties of a liquid on a solid by modifying the applied voltage at the solid-liquid interface. The structure and principle of the lens system are introduced in this paper. And detailed calculations and simulation examples are presented to predict how two liquid lenses are related to meet the basic requirements of zoom lenses.

Computational design of a homotrimeric metalloprotein with a trisbipyridyl core

DOE PAGES

Mills, Jeremy H.; Sheffler, William; Ener, Maraia E.; ...

2016-12-08

Metal-chelating heteroaryl small molecules have found widespread use as building blocks for coordination-driven, self-assembling nanostructures. The metal-chelating noncanonical amino acid (2,2'-bipyridin-5yl)alanine (Bpy-ala) could, in principle, be used to nucleate specific metalloprotein assemblies if introduced into proteins such that one assembly had much lower free energy than all alternatives. Here in this paper, we describe the use of the Rosetta computational methodology to design a self-assembling homotrimeric protein with [Fe(Bpy-ala) 3] 2+ complexes at the interface between monomers. X-ray crystallographic analysis of the homotrimer showed that the design process had near-atomic-level accuracy: The all-atom rmsd between the design model and crystalmore » structure for the residues at the protein interface is ~1.4 Å. These results demonstrate that computational protein design together with genetically encoded noncanonical amino acids can be used to drive formation of precisely specified metal-mediated protein assemblies that could find use in a wide range of photophysical applications.« less

Computational design of a homotrimeric metalloprotein with a trisbipyridyl core

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mills, Jeremy H.; Sheffler, William; Ener, Maraia E.

Metal-chelating heteroaryl small molecules have found widespread use as building blocks for coordination-driven, self-assembling nanostructures. The metal-chelating noncanonical amino acid (2,2'-bipyridin-5yl)alanine (Bpy-ala) could, in principle, be used to nucleate specific metalloprotein assemblies if introduced into proteins such that one assembly had much lower free energy than all alternatives. Here in this paper, we describe the use of the Rosetta computational methodology to design a self-assembling homotrimeric protein with [Fe(Bpy-ala) 3] 2+ complexes at the interface between monomers. X-ray crystallographic analysis of the homotrimer showed that the design process had near-atomic-level accuracy: The all-atom rmsd between the design model and crystalmore » structure for the residues at the protein interface is ~1.4 Å. These results demonstrate that computational protein design together with genetically encoded noncanonical amino acids can be used to drive formation of precisely specified metal-mediated protein assemblies that could find use in a wide range of photophysical applications.« less

Design guide for space shuttle low-cost payloads

NASA Technical Reports Server (NTRS)

1971-01-01

A handbook is presented which delineates the principles of the new low-cost design methodology for designers of unmanned payloads to be carried by the space shuttle. The basic relationships between payload designs and program cost effects are discussed, and some concepts for designing low-cost payloads and implementing low-cost programs are given. The data are summarized from a payloads effects study of three unmanned earth satellites (OAO, a syneq orbiter, and a small research satellite), and the earth satellite design is emphasized. Brief summaries of space shuttle and space tug performance, environmental, and interface data pertinent to low-cost payload concepts are included.

The MEDIGATE graphical user interface for entry of physical findings: design principles and implementation. Medical Examination Direct Iconic and Graphic Augmented Text Entry System.

PubMed

Yoder, J W; Schultz, D F; Williams, B T

1998-10-01

The solution to many of the problems of the computer-based recording of the medical record has been elusive, largely due to difficulties in the capture of those data elements that comprise the records of the Present Illness and of the Physical Findings. Reliable input of data has proven to be more complex than originally envisioned by early work in the field. This has led to more research and development into better data collection protocols and easy to use human-computer interfaces as support tools. The Medical Examination Direct Iconic and Graphic Augmented Text Entry System (MEDIGATE System) is a computer enhanced interactive graphic and textual record of the findings from physical examinations designed to provide ease of user input and to support organization and processing of the data characterizing these findings. The primary design objective of the MEDIGATE System is to develop and evaluate different interface designs for recording observations from the physical examination in an attempt to overcome some of the deficiencies in this major component of the individual record of health and illness.

When paradigms collide at the road rail interface: evaluation of a sociotechnical systems theory design toolkit for cognitive work analysis.

PubMed

Read, Gemma J M; Salmon, Paul M; Lenné, Michael G

2016-09-01

The Cognitive Work Analysis Design Toolkit (CWA-DT) is a recently developed approach that provides guidance and tools to assist in applying the outputs of CWA to design processes to incorporate the values and principles of sociotechnical systems theory. In this paper, the CWA-DT is evaluated based on an application to improve safety at rail level crossings. The evaluation considered the extent to which the CWA-DT met pre-defined methodological criteria and aligned with sociotechnical values and principles. Both process and outcome measures were taken based on the ratings of workshop participants and human factors experts. Overall, workshop participants were positive about the process and indicated that it met the methodological criteria and sociotechnical values. However, expert ratings suggested that the CWA-DT achieved only limited success in producing RLX designs that fully aligned with the sociotechnical approach. Discussion about the appropriateness of the sociotechnical approach in a public safety context is provided. Practitioner Summary: Human factors and ergonomics practitioners need evidence of the effectiveness of methods. A design toolkit for cognitive work analysis, incorporating values and principles from sociotechnical systems theory, was applied to create innovative designs for rail level crossings. Evaluation results based on the application are provided and discussed.

Digital avionics systems - Principles and practices (2nd revised and enlarged edition)

NASA Technical Reports Server (NTRS)

Spitzer, Cary R.

1993-01-01

The state of the art in digital avionics systems is surveyed. The general topics addressed include: establishing avionics system requirements; avionics systems essentials in data bases, crew interfaces, and power; fault tolerance, maintainability, and reliability; architectures; packaging and fitting the system into the aircraft; hardware assessment and validation; software design, assessment, and validation; determining the costs of avionics.

Tissue-electronics interfaces: from implantable devices to engineered tissues

NASA Astrophysics Data System (ADS)

Feiner, Ron; Dvir, Tal

2018-01-01

Biomedical electronic devices are interfaced with the human body to extract precise medical data and to interfere with tissue function by providing electrical stimuli. In this Review, we outline physiologically and pathologically relevant tissue properties and processes that are important for designing implantable electronic devices. We summarize design principles for flexible and stretchable electronics that adapt to the mechanics of soft tissues, such as those including conducting polymers, liquid metal alloys, metallic buckling and meandering architectures. We further discuss technologies for inserting devices into the body in a minimally invasive manner and for eliminating them without further intervention. Finally, we introduce the concept of integrating electronic devices with biomaterials and cells, and we envision how such technologies may lead to the development of bionic organs for regenerative medicine.

Spontaneous evolution of microstructure in materials

NASA Astrophysics Data System (ADS)

Kirkaldy, J. S.

1993-08-01

Microstructures which evolve spontaneously from random solutions in near isolation often exhibit patterns of remarkable symmetry which can only in part be explained by boundary and crystallographic effects. With reference to the detailed experimental record, we seek the source of causality in this natural tendency to constructive autonomy, usually designated as a principle of pattern or wavenumber selection in a free boundary problem. The phase field approach which incorporates detailed boundary structure and global rate equations has enjoyed some currency in removing internal degrees of freedom, and this will be examined critically in reference to the migration of phase-antiphase boundaries produced in an order-disorder transformation. Analogous problems for singular interfaces including solute trapping are explored. The microscopic solvability hypothesis has received much attention, particularly in relation to dendrite morphology and the Saffman-Taylor fingering problem in hydrodynamics. A weak form of this will be illustrated in relation to local equilibrium binary solidification cells which renders the free boundary problem unique. However, the main thrust of this article concerns dynamic configurations at anisotropic singular interfaces and the related patterns of eutectoid(ic)s, nonequilibrium cells, cellular dendrites, and Liesegang figures where there is a recognizable macroscopic phase space of pattern fluctuations and/or solitons. These possess a weakly defective stability point and thereby submit to a statistical principle of maximum path probability and to a variety of corollary dissipation principles in the determination of a unique average patterning behavior. A theoretical development of the principle based on Hamilton's principle for frictional systems is presented in an Appendix. Elements of the principles of scaling, universality, and deterministic chaos are illustrated.

Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion-MoS2 sandwich interfaces.

PubMed

Su, Jie; Feng, Liping; Zeng, Wei; Liu, Zhengtang

2017-06-08

Metal/insertion-MoS 2 sandwich interfaces are designed to reduce the Schottky barriers at metal-MoS 2 interfaces. The effects of geometric and electronic structures of two-dimensional (2D) insertion materials on the contact properties of metal/insertion-MoS 2 interfaces are comparatively studied by first-principles calculations. Regardless of the geometric and electronic structures of 2D insertion materials, Fermi level pinning effects and charge scattering at the metal/insertion-MoS 2 interface are weakened due to weak interactions between the insertion and MoS 2 layers, no gap states and negligible structural deformations for MoS 2 layers. The Schottky barriers at metal/insertion-MoS 2 interfaces are induced by three interface dipoles and four potential steps that are determined by the charge transfers and structural deformations of 2D insertion materials. The lower the electron affinities of 2D insertion materials, the more are the electrons lost from the Sc surface, resulting in lower n-type Schottky barriers at Sc/insertion-MoS 2 interfaces. The larger the ionization potentials and the thinner the thicknesses of 2D insertion materials, the fewer are the electrons that accumulate at the Pt surface, leading to lower p-type Schottky barriers at Pt/insertion-MoS 2 interfaces. All Sc/insertion-MoS 2 interfaces exhibited ohmic characters. The Pt/BN-MoS 2 interface exhibits the lowest p-type Schottky barrier of 0.52 eV due to the largest ionization potential (∼6.88 eV) and the thinnest thickness (single atomic layer thickness) of BN. These results in this work are beneficial to understand and design high performance metal/insertion-MoS 2 interfaces through 2D insertion materials.

Towards Synergistic Electrode-Electrolyte Design Principles for Nonaqueous Li-O[Formula: see text] batteries.

PubMed

Khetan, Abhishek; Krishnamurthy, Dilip; Viswanathan, Venkatasubramanian

2018-03-20

One route toward sustainable land and aerial transportation is based on electrified vehicles. To enable electrification in transportation, there is a need for high-energy-density batteries, and this has led to an enormous interest in lithium-oxygen batteries. Several critical challenges remain with respect to realizing a practical lithium-oxygen battery. In this article, we present a detailed overview of theoretical efforts to formulate design principles for identifying stable electrolytes and electrodes with the desired functionality and stability. We discuss design principles relating to electrolytes and the additional stability challenges that arise at the cathode-electrolyte interface. Based on a thermodynamic analysis, we discuss two important requirements for the cathode: the ability to nucleate the desired discharge product, Li[Formula: see text]O[Formula: see text], and the ability to selectively activate only this discharge product while suppressing lithium oxide, the undesired secondary discharge product. We propose preliminary guidelines for determining the chemical stability of the electrode and illustrate the challenge associated with electrode selection using the examples of carbon cathodes and transition metals. We believe that a synergistic design framework for identifying electrolyte-electrode formulations is needed to realize a practical Li-O[Formula: see text] battery.

Applying Human Factors Evaluation and Design Guidance to a Nuclear Power Plant Digital Control System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomas Ulrich; Ronald Boring; William Phoenix

2012-08-01

The United States (U.S.) nuclear industry, like similar process control industries, has moved toward upgrading its control rooms. The upgraded control rooms typically feature digital control system (DCS) displays embedded in the panels. These displays gather information from the system and represent that information on a single display surface. In this manner, the DCS combines many previously separate analog indicators and controls into a single digital display, whereby the operators can toggle between multiple windows to monitor and control different aspects of the plant. The design of the DCS depends on the function of the system it monitors, but revolvesmore » around presenting the information most germane to an operator at any point in time. DCSs require a carefully designed human system interface. This report centers on redesigning existing DCS displays for an example chemical volume control system (CVCS) at a U.S. nuclear power plant. The crucial nature of the CVCS, which controls coolant levels and boration in the primary system, requires a thorough human factors evaluation of its supporting DCS. The initial digital controls being developed for the DCSs tend to directly mimic the former analog controls. There are, however, unique operator interactions with a digital vs. analog interface, and the differences have not always been carefully factored in the translation of an analog interface to a replacement DCS. To ensure safety, efficiency, and usability of the emerging DCSs, a human factors usability evaluation was conducted on a CVCS DCS currently being used and refined at an existing U.S. nuclear power plant. Subject matter experts from process control engineering, software development, and human factors evaluated the DCS displays to document potential usability issues and propose design recommendations. The evaluation yielded 167 potential usability issues with the DCS. These issues should not be considered operator performance problems but rather opportunities identified by experts to improve upon the design of the DCS. A set of nine design recommendations was developed to address these potential issues. The design principles addressed the following areas: (1) color, (2) pop-up window structure, (3) navigation, (4) alarms, (5) process control diagram, (6) gestalt grouping, (7) typography, (8) terminology, and (9) data entry. Visuals illustrating the improved DCS displays accompany the design recommendations. These nine design principles serve as the starting point to a planned general DCS style guide that can be used across the U.S. nuclear industry to aid in the future design of effective DCS interfaces.« less

Improving information recognition and performance of recycling chimneys.

PubMed

Durugbo, Christopher

2013-01-01

The aim of this study was to assess and improve how recyclers (individuals carrying out the task of recycling) make use of visual cues to carryout recycling tasks in relation to 'recycling chimneys' (repositories for recycled waste). An initial task analysis was conducted through an activity sampling study and an eye tracking experiment using a mobile eye tracker to capture fixations of recyclers during recycling tasks. Following data collection using the eye tracker, a set of recommendations for improving information representation were then identified using the widely researched skills, rules, knowledge framework, and for a comparative study to assess the performance of improved interfaces for recycling chimneys based on Ecological Interface Design principles. Information representation on recycling chimneys determines how we recycle waste. This study describes an eco-ergonomics-based approach to improve the design of interfaces for recycling chimneys. The results are valuable for improving the performance of waste collection processes in terms of minimising contamination and increasing the quantity of recyclables.

AMP: a science-driven web-based application for the TeraGrid

NASA Astrophysics Data System (ADS)

Woitaszek, M.; Metcalfe, T.; Shorrock, I.

The Asteroseismic Modeling Portal (AMP) provides a web-based interface for astronomers to run and view simulations that derive the properties of Sun-like stars from observations of their pulsation frequencies. In this paper, we describe the architecture and implementation of AMP, highlighting the lightweight design principles and tools used to produce a functional fully-custom web-based science application in less than a year. Targeted as a TeraGrid science gateway, AMP's architecture and implementation are intended to simplify its orchestration of TeraGrid computational resources. AMP's web-based interface was developed as a traditional standalone database-backed web application using the Python-based Django web development framework, allowing us to leverage the Django framework's capabilities while cleanly separating the user interface development from the grid interface development. We have found this combination of tools flexible and effective for rapid gateway development and deployment.

Metasurface-based anti-reflection coatings at optical frequencies

NASA Astrophysics Data System (ADS)

Monti, Alessio; Alù, Andrea; Toscano, Alessandro; Bilotti, Filiberto

2018-05-01

In this manuscript, we propose a metasurface approach for the reduction of electromagnetic reflection from an arbitrary air‑dielectric interface. The proposed technique exploits the exotic optical response of plasmonic nanoparticles to achieve complete cancellation of the field reflected by a dielectric substrate by means of destructive interference. Differently from other, earlier anti-reflection approaches based on nanoparticles, our design scheme is supported by a simple transmission-line formulation that allows a closed-form characterization of the anti-reflection performance of a nanoparticle array. Furthermore, since the working principle of the proposed devices relies on an average effect that does not critically depend on the array geometry, our approach enables low-cost production and easy scalability to large sizes. Our theoretical considerations are supported by full-wave simulations confirming the effectiveness of this design principle.

A Study on the Rural Residence in the Northern Area of Zhejiang Province from the Perspective of Green Living Environment

NASA Astrophysics Data System (ADS)

Wang, J.; Gao, W. J.; Wang, C.

2018-05-01

At present, owing to the rapid development of rural construction, it lacks corresponding theories and practices and damages to the features of rural area, ignoring the geography, suitability and green living environment factors. The research selects rural residence as the object, defining “courtyard” as the basic unit for rural residence. It utilizes the principle of topology as the expanding media, by the method of principle of cellular structure and green living environment design strategy. The essay establishes the design and construction system of “rural basic unit”, combining functions and structures, prototype menu, chamber space and compound interface, from the perspective of green living environment. It aims to guide rural construction and protect the ruralliving environment.

Applying human factors principles to alert design increases efficiency and reduces prescribing errors in a scenario-based simulation

PubMed Central

Russ, Alissa L; Zillich, Alan J; Melton, Brittany L; Russell, Scott A; Chen, Siying; Spina, Jeffrey R; Weiner, Michael; Johnson, Elizabette G; Daggy, Joanne K; McManus, M Sue; Hawsey, Jason M; Puleo, Anthony G; Doebbeling, Bradley N; Saleem, Jason J

2014-01-01

Objective To apply human factors engineering principles to improve alert interface design. We hypothesized that incorporating human factors principles into alerts would improve usability, reduce workload for prescribers, and reduce prescribing errors. Materials and methods We performed a scenario-based simulation study using a counterbalanced, crossover design with 20 Veterans Affairs prescribers to compare original versus redesigned alerts. We redesigned drug–allergy, drug–drug interaction, and drug–disease alerts based upon human factors principles. We assessed usability (learnability of redesign, efficiency, satisfaction, and usability errors), perceived workload, and prescribing errors. Results Although prescribers received no training on the design changes, prescribers were able to resolve redesigned alerts more efficiently (median (IQR): 56 (47) s) compared to the original alerts (85 (71) s; p=0.015). In addition, prescribers rated redesigned alerts significantly higher than original alerts across several dimensions of satisfaction. Redesigned alerts led to a modest but significant reduction in workload (p=0.042) and significantly reduced the number of prescribing errors per prescriber (median (range): 2 (1–5) compared to original alerts: 4 (1–7); p=0.024). Discussion Aspects of the redesigned alerts that likely contributed to better prescribing include design modifications that reduced usability-related errors, providing clinical data closer to the point of decision, and displaying alert text in a tabular format. Displaying alert text in a tabular format may help prescribers extract information quickly and thereby increase responsiveness to alerts. Conclusions This simulation study provides evidence that applying human factors design principles to medication alerts can improve usability and prescribing outcomes. PMID:24668841

Applying human factors principles to alert design increases efficiency and reduces prescribing errors in a scenario-based simulation.

PubMed

Russ, Alissa L; Zillich, Alan J; Melton, Brittany L; Russell, Scott A; Chen, Siying; Spina, Jeffrey R; Weiner, Michael; Johnson, Elizabette G; Daggy, Joanne K; McManus, M Sue; Hawsey, Jason M; Puleo, Anthony G; Doebbeling, Bradley N; Saleem, Jason J

2014-10-01

To apply human factors engineering principles to improve alert interface design. We hypothesized that incorporating human factors principles into alerts would improve usability, reduce workload for prescribers, and reduce prescribing errors. We performed a scenario-based simulation study using a counterbalanced, crossover design with 20 Veterans Affairs prescribers to compare original versus redesigned alerts. We redesigned drug-allergy, drug-drug interaction, and drug-disease alerts based upon human factors principles. We assessed usability (learnability of redesign, efficiency, satisfaction, and usability errors), perceived workload, and prescribing errors. Although prescribers received no training on the design changes, prescribers were able to resolve redesigned alerts more efficiently (median (IQR): 56 (47) s) compared to the original alerts (85 (71) s; p=0.015). In addition, prescribers rated redesigned alerts significantly higher than original alerts across several dimensions of satisfaction. Redesigned alerts led to a modest but significant reduction in workload (p=0.042) and significantly reduced the number of prescribing errors per prescriber (median (range): 2 (1-5) compared to original alerts: 4 (1-7); p=0.024). Aspects of the redesigned alerts that likely contributed to better prescribing include design modifications that reduced usability-related errors, providing clinical data closer to the point of decision, and displaying alert text in a tabular format. Displaying alert text in a tabular format may help prescribers extract information quickly and thereby increase responsiveness to alerts. This simulation study provides evidence that applying human factors design principles to medication alerts can improve usability and prescribing outcomes. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

Basic principles for rational design of high-performance nanostructured silicon-based thermoelectric materials.

PubMed

Yang, Chun Cheng; Li, Sean

2011-12-23

Recently, nanostructured silicon-based thermoelectric materials have drawn great attention owing to their excellent thermoelectric performance in the temperature range around 450 °C, which is eminently applicable for concentrated solar thermal technology. In this work, a unified nanothermodynamic model is developed to investigate the predominant factors that determine the lattice thermal conductivity of nanocrystalline, nanoporous, and nanostructured bulk Si. A systematic study shows that the thermoelectric performance of these materials can be substantially enhanced by the following three basic principles: 1) artificial manipulation and optimization of roughness with surface/interface patterning/engineering; 2) grain-size reduction with innovative fabrication techniques in a controllable fashion; and 3) optimization of material parameters, such as bulk solid-vapor transition entropy, bulk vibrational entropy, dimensionality, and porosity, to decrease the lattice thermal conductivity. These principles may be used to rationally design novel nanostructured Si-based thermoelectric materials for renewable energy applications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Environment-dependent interfacial strength using first principles thermodynamics: The example of the Pt-HfO2 interface

NASA Astrophysics Data System (ADS)

Cardona Quintero, Y.; Ramanath, Ganpati; Ramprasad, R.

2013-10-01

A parameter-free, quantitative, first-principles methodology to determine the environment-dependent interfacial strength of metal-metal oxide interfaces is presented. This approach uses the notion of the weakest link to identify the most likely cleavage plane, and first principles thermodynamics to calculate the average work of separation as a function of the environment (in this case, temperature and oxygen pressure). The method is applied to the case of the Pt-HfO2 interface, and it is shown that the computed environment-dependent work of separation is in quantitative agreement with available experimental data.

Design and applications of a multimodality image data warehouse framework.

PubMed

Wong, Stephen T C; Hoo, Kent Soo; Knowlton, Robert C; Laxer, Kenneth D; Cao, Xinhau; Hawkins, Randall A; Dillon, William P; Arenson, Ronald L

2002-01-01

A comprehensive data warehouse framework is needed, which encompasses imaging and non-imaging information in supporting disease management and research. The authors propose such a framework, describe general design principles and system architecture, and illustrate a multimodality neuroimaging data warehouse system implemented for clinical epilepsy research. The data warehouse system is built on top of a picture archiving and communication system (PACS) environment and applies an iterative object-oriented analysis and design (OOAD) approach and recognized data interface and design standards. The implementation is based on a Java CORBA (Common Object Request Broker Architecture) and Web-based architecture that separates the graphical user interface presentation, data warehouse business services, data staging area, and backend source systems into distinct software layers. To illustrate the practicality of the data warehouse system, the authors describe two distinct biomedical applications--namely, clinical diagnostic workup of multimodality neuroimaging cases and research data analysis and decision threshold on seizure foci lateralization. The image data warehouse framework can be modified and generalized for new application domains.

Design and Applications of a Multimodality Image Data Warehouse Framework

PubMed Central

Wong, Stephen T.C.; Hoo, Kent Soo; Knowlton, Robert C.; Laxer, Kenneth D.; Cao, Xinhau; Hawkins, Randall A.; Dillon, William P.; Arenson, Ronald L.

2002-01-01

A comprehensive data warehouse framework is needed, which encompasses imaging and non-imaging information in supporting disease management and research. The authors propose such a framework, describe general design principles and system architecture, and illustrate a multimodality neuroimaging data warehouse system implemented for clinical epilepsy research. The data warehouse system is built on top of a picture archiving and communication system (PACS) environment and applies an iterative object-oriented analysis and design (OOAD) approach and recognized data interface and design standards. The implementation is based on a Java CORBA (Common Object Request Broker Architecture) and Web-based architecture that separates the graphical user interface presentation, data warehouse business services, data staging area, and backend source systems into distinct software layers. To illustrate the practicality of the data warehouse system, the authors describe two distinct biomedical applications—namely, clinical diagnostic workup of multimodality neuroimaging cases and research data analysis and decision threshold on seizure foci lateralization. The image data warehouse framework can be modified and generalized for new application domains. PMID:11971885

First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces.

PubMed

Kharche, Neerav; Muckerman, James T; Hybertsen, Mark S

2014-10-24

A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The  GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b1 energy level in water. The application to the specific cases of nonpolar (101¯0) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. These effects contribute up to 0.5 eV.

Holographic optical metasurfaces: a review of current progress

NASA Astrophysics Data System (ADS)

Genevet, Patrice; Capasso, Federico

2015-02-01

In this article, we review recent developments in the field of surface electromagnetic wave holography. The holography principle is used as a tool to solve an inverse engineering problem consisting of designing novel plasmonic interfaces to excite either surface waves or free-space beams with any desirable field distributions. Leveraging on the new nanotechnologies to carve subwavelength features within the large diffracting apertures of conventional holograms, it is now possible to create binary holographic interfaces to shape both amplitude phase and polarization of light. The ability of the new generation of ultrathin and compact holographic optical devices to fully address light properties could find widespread applications in photonics.

Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

DOE PAGES

Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; ...

2015-01-21

We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO 2|ZrO 2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. Furthermore, these results couldmore » serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.« less

Graphene-ferromagnet interfaces: hybridization, magnetization and charge transfer.

PubMed

Abtew, Tesfaye; Shih, Bi-Ching; Banerjee, Sarbajit; Zhang, Peihong

2013-03-07

Electronic and magnetic properties of graphene-ferromagnet interfaces are investigated using first-principles electronic structure methods in which a single layer graphene is adsorbed on Ni(111) and Co(111) surfaces. Due to the symmetry matching and orbital overlap, the hybridization between graphene pπ and Ni (or Co) d(z(2)) states is very strong. This pd hybridization, which is both spin and k dependent, greatly affects the electronic and magnetic properties of the interface, resulting in a significantly reduced (by about 20% for Ni and 10% for Co) local magnetic moment of the top ferromagnetic layer at the interface and an induced spin polarization on the graphene layer. The calculated induced magnetic moment on the graphene layer agrees well with a recent experiment. In addition, a substantial charge transfer across the graphene-ferromagnet interfaces is observed. We also investigate the effects of thickness of the ferromagnet slab on the calculated electronic and magnetic properties of the interface. The strength of the pd hybridization and the thickness-dependent interfacial properties may be exploited to design structures with desirable magnetic and transport properties for spintronic applications.

Design, fabrication and testing of an optical temperature sensor

NASA Technical Reports Server (NTRS)

Morey, W. W.; Glenn, W. H.; Decker, R. O.; Mcclurg, W. C.

1980-01-01

The laboratory breadboard optical temperature sensor based on the temperature dependent absorptive characteristics of a rare earth (europium) doped optical fiber. The principles of operation, materials characterization, fiber and optical component design, design and fabrication of an electrooptic interface unit, signal processing, and initial test results are discussed. Initial tests indicated that, after a brief warmup period, the output of the sensor was stable to approximately 1 C at room temperature or approximately + or - 0.3 percent of point (K). This exceeds the goal of 1 percent of point. Recommendations are presented for further performance improvement.

Using Symmetry to Design Self-Assembling Protein Cages and Nanomaterials on the Mid-Nanometer Scale

NASA Astrophysics Data System (ADS)

Yeates, Todd

Self-assembling molecular structures having diverse cellular functions are widespread in nature. Some of the largest and most sophisticated types are built from many copies of the same or similar protein molecules arranged following principles of symmetry. A long-standing engineering goal has been to design novel protein molecules to self-assemble into geometrically specific structures similar to the extraordinary structures that have evolved in Nature. Practical routes to this goal have been developed by using ideas in symmetry to articulate the minimum design requirements for achieving various types of symmetric architectures, including cages, extended two-dimensional layers, and three-dimensional crystalline materials. The key requirement is that two distinct self-associating interfaces, each conferring one element of rotational symmetry, have to be engineered into the protein molecule (or molecules), following particular geometric specifications. The main principle is that combining two separate symmetry elements into a single molecular entity produces a molecule that necessarily assembles into an architecture dictated by a symmetry group that is the product of the two simpler contributing symmetries. Recent experiments have demonstrated success using a variety of symmetry-based strategies. Strategic variations are emerging that differ from each other with respect to biophysical features such as flexibility vs rigidity in the assembled structures, and with respect to design aspects such as whether the protein interfaces are inherited from natural oligomeric proteins or are designed de novo by advanced computational methods. The success of these strategies has been proven by determining crystal structures of several giant, self-assembling protein cages and clusters (10-25 nm in diameter), created by design. The ability to create sophisticated supramolecular structures from designed protein subunits opens the way to broad applications in synthetic biology and nanotechnology.

The Pursuit of Chronically Reliable Neural Interfaces: A Materials Perspective.

PubMed

Guo, Liang

2016-01-01

Brain-computer interfaces represent one of the most astonishing technologies in our era. However, the grand challenge of chronic instability and limited throughput of the electrode-tissue interface has significantly hindered the further development and ultimate deployment of such exciting technologies. A multidisciplinary research workforce has been called upon to respond to this engineering need. In this paper, I briefly review this multidisciplinary pursuit of chronically reliable neural interfaces from a materials perspective by analyzing the problem, abstracting the engineering principles, and summarizing the corresponding engineering strategies. I further draw my future perspectives by extending the proposed engineering principles.

Layered approach to workstation design for medical image viewing

NASA Astrophysics Data System (ADS)

Haynor, David R.; Zick, Gregory L.; Heritage, Marcus B.; Kim, Yongmin

1992-07-01

Software engineering principles suggest that complex software systems are best constructed from independent, self-contained modules, thereby maximizing the portability, maintainability and modifiability of the produced code. This principal is important in the design of medical imaging workstations, where further developments in technology (CPU, memory, interface devices, displays, network connections) are required for clinically acceptable workstations, and it is desirable to provide different hardware platforms with the ''same look and feel'' for the user. In addition, the set of desired functions is relatively well understood, but the optimal user interface for delivering these functions on a clinically acceptable workstation is still different depending on department, specialty, or individual preference. At the University of Washington, we are developing a viewing station based on the IBM RISC/6000 computer and on new technologies that are just becoming commercially available. These include advanced voice recognition systems and an ultra-high-speed network. We are developing a set of specifications and a conceptual design for the workstation, and will be producing a prototype. This paper presents our current concepts concerning the architecture and software system design of the future prototype. Our conceptual design specifies requirements for a Database Application Programming Interface (DBAPI) and for a User API (UAPI). The DBAPI consists of a set of subroutine calls that define the admissible transactions between the workstation and an image archive. The UAPI describes the requests a user interface program can make of the workstation. It incorporates basic display and image processing functions, yet is specifically designed to allow extensions to the basic set at the application level. We will discuss the fundamental elements of the two API''s and illustrate their application to workstation design.

First-principles based calculation of the macroscopic α/β interface in titanium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Dongdong; Key Lab of Nonferrous Materials of Ministry of Education, Central South University, Changsha 410083; Zhu, Lvqi

2016-06-14

The macroscopic α/β interface in titanium and titanium alloys consists of a ledge interface (112){sub β}/(01-10){sub α} and a side interface (11-1){sub β}/(2-1-10){sub α} in a zig-zag arrangement. Here, we report a first-principles study for predicting the atomic structure and the formation energy of the α/β-Ti interface. Both component interfaces were calculated using supercell models within a restrictive relaxation approach, with various staking sequences and high-symmetry parallel translations being considered. The ledge interface energy was predicted as 0.098 J/m{sup 2} and the side interface energy as 0.811 J/m{sup 2}. By projecting the zig-zag interface area onto the macroscopic broad face, the macroscopicmore » α/β interface energy was estimated to be as low as ∼0.12 J/m{sup 2}, which, however, is almost double the ad hoc value used in previous phase-field simulations.« less

Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations

NASA Astrophysics Data System (ADS)

Tang, Fu-Ling; Liu, Ran; Xue, Hong-Tao; Lu, Wen-Jiang; Feng, Yu-Dong; Rui, Zhi-Yuan; Huang, Min

2014-07-01

Using first-principles calculations within density functional theory, we study the atomic structures and electronic properties of the perfect and defective (2VCu+InCu) CuInGaSe2/CdS interfaces theoretically, especially the interface states. We find that the local lattice structure of (2VCu+InCu) interface is somewhat disorganized. By analyzing the local density of states projected on several atomic layers of the two interfaces models, we find that for the (2VCu+InCu) interface the interface states near the Fermi level in CuInGaSe2 and CdS band gap regions are mainly composed of interfacial Se-4p, Cu-3d and S-3p orbitals, while for the perfect interface there are no clear interface states in the CuInGaSe2 region but only some interface states which are mainly composed of S-3p orbitals in the valance band of CdS region.

First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

DOE PAGES

Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

2014-10-21

A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1 b₁ energy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation andmore » the dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.« less

Applying Minimal Manual Principles for Documentation of Graphical User Interfaces.

ERIC Educational Resources Information Center

Nowaczyk, Ronald H.; James, E. Christopher

1993-01-01

Investigates the need to include computer screens in documentation for software using a graphical user interface. Describes the uses and purposes of "minimal manuals" and their principles. Studies student reaction to their use of one of three on-screen manuals: screens, icon, and button. Finds some benefit for including icon and button…

A systems-approach to the design of the Eos data and information system

NASA Technical Reports Server (NTRS)

Chase, Robert R. P.

1987-01-01

The task of designing a data and information system responsive to the needs of Eos users is stratified by level and approached with contemporary systems design practices. Appropriate systems design principles are applied at the conceptual design level in this paper. A functional, architectural design is described in terms of elemental composition, top-level functions, and external and internal interfaces. The functional validity of this design has been tested and verified through the use of realistic user scenarios consistent with existing plans for the 1990s, the Space Station era. Technologic and management impediments to the development of the requisite data and information system for Eos are examined and a consistent methodology for developing this system is discussed.

Usability and Safety in Electronic Medical Records Interface Design: A Review of Recent Literature and Guideline Formulation.

PubMed

Zahabi, Maryam; Kaber, David B; Swangnetr, Manida

2015-08-01

The objectives of this study were to (a) review electronic medical record (EMR) and related electronic health record (EHR) interface usability issues, (b) review how EMRs have been evaluated with safety analysis techniques along with any hazard recognition, and (c) formulate design guidelines and a concept for enhanced EMR interfaces with a focus on diagnosis and documentation processes. A major impact of information technology in health care has been the introduction of EMRs. Although numerous studies indicate use of EMRs to increase health care quality, there remain concerns with usability issues and safety. A literature search was conducted using Compendex, PubMed, CINAHL, and Web of Science databases to find EMR research published since 2000. Inclusion criteria included relevant English-language papers with subsets of keywords and any studies (manually) identified with a focus on EMR usability. Fifty studies met the inclusion criteria. Results revealed EMR and EHR usability problems to include violations of natural dialog, control consistency, effective use of language, effective information presentation, and customization principles as well as a lack of error prevention, minimization of cognitive load, and feedback. Studies focusing on EMR system safety made no objective assessments and applied only inductive reasoning methods for hazard recognition. On the basis of the identified usability problems and structure of safety analysis techniques, we provide EMR design guidelines and a design concept focused on the diagnosis process and documentation. The design guidelines and new interface concept can be used for prototyping and testing enhanced EMRs. © 2015, Human Factors and Ergonomics Society.

First-principles investigations of iron-based alloys and their properties

NASA Astrophysics Data System (ADS)

Limmer, Krista Renee

Fundamental understanding of the complex interactions governing structure-property relationships in iron-based alloys is necessary to advance ferrous metallurgy. Two key components of alloy design are carbide formation and stabilization and controlling the active deformation mechanism. Following a first-principles methodology, understanding on the electronic level of these components has been gained for predictive modeling of alloys. Transition metal carbides have long played an important role in alloy design, though the complexity of their interactions with the ferrous matrix is not well understood. Bulk, surface, and interface properties of vanadium carbide, VCx, were calculated to provide insight for the carbide formation and stability. Carbon vacancy defects are shown to stabilize the bulk carbide due to increased V-V bonding in addition to localized increased V-C bond strength. The VCx (100) surface energy is minimized when carbon vacancies are at least two layers from the surface. Further, the Fe/VC interface is stabilized through maintaining stoichiometry at the Fe/VC interface. Intrinsic and unstable stacking fault energy, gammaisf and gamma usf respectively, were explicitly calculated in nonmagnetic fcc Fe-X systems for X = Al, Si, P, S, and the 3d and 4d transition elements. A parabolic relationship is observed in gamma isf across the transition metals with minimums observed for Mn and Tc in the 3d and 4d periods, respectively. Mn is the only alloying addition that was shown to decrease gamma isf in fcc Fe at the given concentration. The effect of alloying on gammausf also has a parabolic relationship, with all additions decreasing gammaisf yielding maximums for Fe and Rh.

First-principles study of the structure properties of Al(111)/6H-SiC(0001) interfaces

NASA Astrophysics Data System (ADS)

Wu, Qingjie; Xie, Jingpei; Wang, Changqing; Li, Liben; Wang, Aiqin; Mao, Aixia

2018-04-01

This paper presents a systematic study on the energetic and electronic structure of the Al(111)/6H-SiC(0001) interfaces by using first-principles calculation with density functional theory (DFT). There are all three situations for no-vacuum layer of Al/SiC superlattics, and two cases of C-terminated and Si-terminated interfaces are compared and analyzed. Through the density of states analysis, the initial information of interface combination is obtained. Then the supercells are stretched vertically along the z-axis, and the fracture of the interface is obtained, and it is pointed out that C-terminated SiC and Al interfaces have a better binding property. And, the fracture positions of C-terminated and Si-terminated interfaces are different in the process of stretching. Then, the distance variation in the process of stretching, the charge density differences, and the distribution of the electrons near the interface are analyzed. Al these work makes the specific reasons for the interface fracture are obtained at last.

Tuning charge transfer in the LaTiO3/RO/LaNiO3 (R = rare-earth) superlattices by the rare-earth oxides interfaces from a first-principles calculation

NASA Astrophysics Data System (ADS)

Yao, Fen; Zhang, Lifang; Meng, Junling; Liu, Xiaojuan; Zhang, Xiong; Zhang, Wenwen; Meng, Jian; Zhang, Hongjie

2018-03-01

We investigate the internal charge transfer at the isopolar interfaces in LaTiO3/RO/LaNiO3 (R = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu) superlattices by means of density functional theory calculations. The charge transfer from Ti sites to Ni sites in all superlattices is induced by the electronegativity difference between the elements Ti and Ni, and the lanthanide oxides interfaces can modulate the amount of charge transfer. Comparison of the perovskite heterostructures with the different rare-earth interfaces shows that increasing the deviations of bond angles from 180.0° and the oxygen motions near the interfaces enhance charge transfer. The 4f electrons themselves of rare-earth elements have faint influences on charge transfer. In addition, the reasons why our calculated 4f states of Sm and Tm elements disagree with the experimental systems have been provided. It is hoped that all the calculated results could be used to design new functional nanoelectronic devices in perovskite oxides.

Interface-induced multiferroism by design in complex oxide superlattices

PubMed Central

Guo, Hangwen; Wang, Zhen; Dong, Shuai; Ghosh, Saurabh; Saghayezhian, Mohammad; Chen, Lina; Weng, Yakui; Herklotz, Andreas; Ward, Thomas Z.; Jin, Rongying; Pantelides, Sokrates T.; Zhu, Yimei; Zhang, Jiandi; Plummer, E. W.

2017-01-01

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La2/3Sr1/3MnO3 (LSMO)/BaTiO3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacing with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling. PMID:28607082

Intelligent command and control systems for satellite ground operations

NASA Technical Reports Server (NTRS)

Mitchell, Christine M.

1994-01-01

The Georgia Tech portion of the Intelligent Control Center project includes several complementary activities. Two major activities entail thesis level research; the other activities are either support activities or preliminary explorations (e.g., task analyses) to support the research. The first research activity is the development of principles for the design of active interfaces to support monitoring during real-time supports. It is well known that as the operator's task becomes less active, i.e., more monitoring and less active control, there is concern that the operator will be less involved and less able to rapidly identify anomalous or failure situations. The research project to design active monitoring interfaces is an attempt to remediate this undesirable side-effect of increasingly automated control systems that still depend ultimately on operator supervision. The second research activity is the exploration of the use of case-based reasoning as a way to accumulate operator experience and make it available in computational form.

Automated software development workstation

NASA Technical Reports Server (NTRS)

Prouty, Dale A.; Klahr, Philip

1988-01-01

A workstation is being developed that provides a computational environment for all NASA engineers across application boundaries, which automates reuse of existing NASA software and designs, and efficiently and effectively allows new programs and/or designs to be developed, catalogued, and reused. The generic workstation is made domain specific by specialization of the user interface, capturing engineering design expertise for the domain, and by constructing/using a library of pertinent information. The incorporation of software reusability principles and expert system technology into this workstation provide the obvious benefits of increased productivity, improved software use and design reliability, and enhanced engineering quality by bringing engineering to higher levels of abstraction based on a well tested and classified library.

On Designing Lightweight Threads for Substrate Software

NASA Technical Reports Server (NTRS)

Haines, Matthew

1997-01-01

Existing user-level thread packages employ a 'black box' design approach, where the implementation of the threads is hidden from the user. While this approach is often sufficient for application-level programmers, it hides critical design decisions that system-level programmers must be able to change in order to provide efficient service for high-level systems. By applying the principles of Open Implementation Analysis and Design, we construct a new user-level threads package that supports common thread abstractions and a well-defined meta-interface for altering the behavior of these abstractions. As a result, system-level programmers will have the advantages of using high-level thread abstractions without having to sacrifice performance, flexibility or portability.

Physics and Its Interfaces with Medicinal Chemistry and Drug Design

NASA Astrophysics Data System (ADS)

Santos, Ricardo N.; Andricopulo, Adriano D.

2013-08-01

Medicinal chemistry is a multidisciplinary subject that integrates knowledge from a variety of fields of science, including, but not limited to, chemistry, biology, and physics. The area of drug design involves the cooperative work of scientists with a diverse range of backgrounds and technical skills, trying to tackle complex problems using an integration of approaches and methods. One important contribution to this field comes from physics through studies that attempt to identify and quantify the molecular interactions between small molecules (drugs) and biological targets (receptors), such as the forces that govern the interactions, the thermodynamics of the drug-receptor interactions, and so on. In this context, the interfaces of physics, medicinal chemistry, and drug design are of vital importance for the development of drugs that not only have the right chemistry but also the right intermolecular properties to interact at the macromolecular level, providing useful information about the principles and molecular mechanisms underlying the therapeutic action of drugs. This article highlights some of the most important connections between physics and medicinal chemistry in the design of new drugs.

Fermat's principle and the formal equivalence of local light-ray rotation and refraction at the interface between homogeneous media with a complex refractive index ratio.

PubMed

Sundar, Bhuvanesh; Hamilton, Alasdair C; Courtial, Johannes

2009-02-01

We derive a formal description of local light-ray rotation in terms of complex refractive indices. We show that Fermat's principle holds, and we derive an extended Snell's law. The change in the angle of a light ray with respect to the normal of a refractive index interface is described by the modulus of the refractive index ratio; the rotation around the interface normal is described by the argument of the refractive index ratio.

A Non-Intrusive Algorithm for Sensitivity Analysis of Chaotic Flow Simulations

NASA Technical Reports Server (NTRS)

Blonigan, Patrick J.; Wang, Qiqi; Nielsen, Eric J.; Diskin, Boris

2017-01-01

We demonstrate a novel algorithm for computing the sensitivity of statistics in chaotic flow simulations to parameter perturbations. The algorithm is non-intrusive but requires exposing an interface. Based on the principle of shadowing in dynamical systems, this algorithm is designed to reduce the effect of the sampling error in computing sensitivity of statistics in chaotic simulations. We compare the effectiveness of this method to that of the conventional finite difference method.

A new 3D viewer as an interface between the ASDEX Upgrade CAD models and data from plasma modelling and experiment

NASA Astrophysics Data System (ADS)

Lunt, T.; Fuchs, J. C.; Mank, K.; Feng, Y.; Brochard, F.; Herrmann, A.; Rohde, V.; Endstrasser, N.; ASDEX Upgrade Team

2010-11-01

A generally available and easy-to-use viewer for the simultaneous visualisation of the ASDEX Upgrade vacuum vessel computer aided design models, diagnostics and magnetic geometry, solutions of 3D plasma simulation codes and 2D camera images was developed. Here we report on the working principle of this software and give several examples of its technical and scientific application.

AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein–Protein Interaction Interfaces

PubMed Central

2016-01-01

Inhibition of protein–protein interactions (PPIs) is emerging as a promising therapeutic strategy despite the difficulty in targeting such interfaces with drug-like small molecules. PPIs generally feature large and flat binding surfaces as compared to typical drug targets. These features pose a challenge for structural characterization of the surface using geometry-based pocket-detection methods. An attractive mapping strategy—that builds on the principles of fragment-based drug discovery (FBDD)—is to detect the fragment-centric modularity at the protein surface and then characterize the large PPI interface as a set of localized, fragment-targetable interaction regions. Here, we introduce AlphaSpace, a computational analysis tool designed for fragment-centric topographical mapping (FCTM) of PPI interfaces. Our approach uses the alpha sphere construct, a geometric feature of a protein’s Voronoi diagram, to map out concave interaction space at the protein surface. We introduce two new features—alpha-atom and alpha-space—and the concept of the alpha-atom/alpha-space pair to rank pockets for fragment-targetability and to facilitate the evaluation of pocket/fragment complementarity. The resulting high-resolution interfacial map of targetable pocket space can be used to guide the rational design and optimization of small molecule or biomimetic PPI inhibitors. PMID:26225450

First principles modeling of the metal-electrolyte interface: A novel approach to the study of the electrochemical interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernandez-Serra, Maria Victoria

2016-09-12

The research objective of this proposal is the computational modeling of the metal-electrolyte interface purely from first principles. The accurate calculation of the electrostatic potential at electrically biased metal-electrolyte interfaces is a current challenge for periodic “ab-initio” simulations. It is also an essential requisite for predicting the correspondence between the macroscopic voltage and the microscopic interfacial charge distribution in electrochemical fuel cells. This interfacial charge distribution is the result of the chemical bonding between solute and metal atoms, and therefore cannot be accurately calculated with the use of semi-empirical classical force fields. The project aims to study in detail themore » structure and dynamics of aqueous electrolytes at metallic interfaces taking into account the effect of the electrode potential. Another side of the project is to produce an accurate method to simulate the water/metal interface. While both experimental and theoretical surface scientists have made a lot of progress on the understanding and characterization of both atomistic structures and reactions at the solid/vacuum interface, the theoretical description of electrochemical interfaces is still lacking behind. A reason for this is that a complete and accurate first principles description of both the liquid and the metal interfaces is still computationally too expensive and complex, since their characteristics are governed by the explicit atomic and electronic structure built at the interface as a response to environmental conditions. This project will characterize in detail how different theoretical levels of modeling describer the metal/water interface. In particular the role of van der Waals interactions will be carefully analyzed and prescriptions to perform accurate simulations will be produced.« less

Universality Results for Multi-Layer Hele-Shaw and Porous Media Flows

NASA Astrophysics Data System (ADS)

Daripa, Prabir

2012-11-01

Saffman-Taylor instability is a well known viscosity driven instability of an interface. Motivated by a need to understand the effect of various injection policies currently in practice for chemical enhanced oil recovery, we study linear stability of displacement processes in a Hele-Shaw cell involving injection of an arbitrary number of immiscible fluid phases in succession. This is a problem involving many interfaces. Universal stability results have been obtained for this multi-layer (multi-region) flow in the sense that the results hold with arbitrary number of interfaces. These stability results have been applied to design injection policies that are considerably less unstable than the pure Saffman-Taylor case. In particular, we determine specific values of the viscosity of the fluid layers corresponding to smallest unstable band. Moreover, we discuss universal selection principle of optimal viscous profiles. The talk is based on following papers. Qatar National Fund (a member of the Qatar Foundation).

A programmable controller based on CAN field bus embedded microprocessor and FPGA

NASA Astrophysics Data System (ADS)

Cai, Qizhong; Guo, Yifeng; Chen, Wenhei; Wang, Mingtao

2008-10-01

One kind of new programmable controller(PLC) is introduced in this paper. The advanced embedded microprocessor and Field-Programmable Gate Array (FPGA) device are applied in the PLC system. The PLC system structure was presented in this paper. It includes 32 bits Advanced RISC Machines (ARM) embedded microprocessor as control core, FPGA as control arithmetic coprocessor and CAN bus as data communication criteria protocol connected the host controller and its various extension modules. It is detailed given that the circuits and working principle, IiO interface circuit between ARM and FPGA and interface circuit between ARM and FPGA coprocessor. Furthermore the interface circuit diagrams between various modules are written. In addition, it is introduced that ladder chart program how to control the transfer info of control arithmetic part in FPGA coprocessor. The PLC, through nearly two months of operation to meet the design of the basic requirements.

Atomic-Scale Characterization of Oxide Interfaces and Superlattices Using Scanning Transmission Electron Microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spurgeon, Steven R.; Chambers, Scott A.

Scanning transmission electron microscopy (STEM) has become one of the fundamental tools to characterize oxide interfaces and superlattices. Atomic-scale structure, chemistry, and composition mapping can now be conducted on a wide variety of materials systems thanks to the development of aberration-correctors and advanced detectors. STEM imaging and diffraction, coupled with electron energy loss (EELS) and energy-dispersive X-ray (EDS) spectroscopies, offer unparalleled, high-resolution analysis of structure-property relationships. In this chapter we highlight investigations into key phenomena, including interfacial conductivity in oxide superlattices, charge screening effects in magnetoelectric heterostructures, the design of high-quality iron oxide interfaces, and the complex physics governing atomic-scalemore » chemical mapping. These studies illustrate how unique insights from STEM characterization can be integrated with other techniques and first-principles calculations to develop better models for the behavior of functional oxides.« less

Modeling Complex Cross-Systems Software Interfaces Using SysML

NASA Technical Reports Server (NTRS)

Mandutianu, Sanda; Morillo, Ron; Simpson, Kim; Liepack, Otfrid; Bonanne, Kevin

2013-01-01

The complex flight and ground systems for NASA human space exploration are designed, built, operated and managed as separate programs and projects. However, each system relies on one or more of the other systems in order to accomplish specific mission objectives, creating a complex, tightly coupled architecture. Thus, there is a fundamental need to understand how each system interacts with the other. To determine if a model-based system engineering approach could be utilized to assist with understanding the complex system interactions, the NASA Engineering and Safety Center (NESC) sponsored a task to develop an approach for performing cross-system behavior modeling. This paper presents the results of applying Model Based Systems Engineering (MBSE) principles using the System Modeling Language (SysML) to define cross-system behaviors and how they map to crosssystem software interfaces documented in system-level Interface Control Documents (ICDs).

Care-'less': exploring the interface between child care and parental control in the context of child rights for workers in children's homes in Ghana.

PubMed

Darkwah, Ernest; Daniel, Marguerite; Yendork, Joana Salifu

2018-02-20

This study explored how employed caregivers experience the interface between child care, parental control and child rights in the context of Children's Homes in Ghana. The focus was on investigating caregiver perceptions of proper child care, their experiences with having to work with child rights principles and the implication of these for their relationships with the children and the care services they deliver. Adopting a qualitative approach with phenomenological design, data were collected from 41 caregivers in two children's homes in Ghana using focus group discussions and in-depth interviews. It emerged that caregivers experienced frustrations with perceived limitations that child rights principles place on their control over the children describing it as lessening and, at the same time, complicating the care services they provide. The findings suggest a need for a review of the implementation strategies of the child rights approach in that context. A re-organization of the children's homes environment and re-orientation of caregivers and children regarding their relationship is also suggested.

First-principles study of graphene under c-HfO{sub 2}(111) layers: Electronic structures and transport properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaneko, Tomoaki, E-mail: kaneko@flex.phys.tohoku.ac.jp; Materials Research Consortium for Energy Efficient Electronic Devices; Ohno, Takahisa, E-mail: OHNO.Takahisa@nims.go.jp

2016-08-22

We investigated the electronic properties, stability, and transport of graphene under c-HfO{sub 2}(111) layers by performing first-principles calculations with special attention to the chemical bonding between graphene and HfO{sub 2} surfaces. When the interface of HfO{sub 2}/graphene is terminated by an O layer, the linear dispersion of graphene is preserved and the degradation of transport is suppressed. For other interface structures, HfO{sub 2} is tightly adsorbed on graphene and the transport is strictly limited. In terms of the stability of the interface structures, an O-terminated interface is preferable, which is achieved under an O-deficient condition.

First-Principle Investigation on the Bonding Mechanism of the Silicon Particles on the Copper Foil in Cold Spraying

NASA Astrophysics Data System (ADS)

Song, Jun; Liu, Juanfang; Chen, Qinghua

For lithium-ion batteries, the composite silicon-based electrodes can prevent from losing electrical contact and hence retain the capacity over many cycles. To uncover the adhesion mechanism on the interface formed by the copper foil and the thin silicon coatings during the cold gas dynamic spraying (CGDS) at the microscopic level, the first-principle calculations are performed to investigate the interface properties between them. The ideal work of adhesion, fracture toughness and the interface electronic properties are analyzed. It is found that all the atoms on the interface have vertical displacements, and covalent and ionic bonds are formed between the interfacial Cu and Si atoms which increases the bonding strength. However, the ideal work of adhesion on the interface is lower than one of the Cu bulk and Si bulk, so that fracture would be easier to take place on the interface.

Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

NASA Astrophysics Data System (ADS)

Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.

2017-02-01

Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with predictions that include all transport processes: elastic and inelastic phonon scattering, electron-phonon coupling in the metal, and electron-phonon coupling across the interface.

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

NASA Astrophysics Data System (ADS)

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

2015-02-01

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

Atomic-scale structural and electronic properties of SrTiO3/GaAs interfaces: A combined STEM-EELS and first-principles study

NASA Astrophysics Data System (ADS)

Hong, Liang; Bhatnagar, Kunal; Droopad, Ravi; Klie, Robert F.; Öǧüt, Serdar

2017-07-01

The electronic properties of epitaxial oxide thin films grown on compound semiconductors are largely determined by the interfacial atomic structure, as well as the thermodynamic conditions during synthesis. Ferroelectric polarization and Fermi-level pinning in SrTiO3 films have been attributed to the presence of oxygen vacancies at the oxide/semiconductor interface. Here, we present scanning transmission electron microscopy (STEM) and electron energy-loss spectroscopy analyses of GaAs films grown on SrTiO3 combined with first-principles calculations to determine the atomic and electronic structures of the SrTiO3/GaAs interfaces. An atomically abrupt SrO/As interface is observed and the interfacial SrO layer is found to be O-deficient. First-principles density functional theory (DFT) calculations show SrO/Ga and Sr/As interfaces are favorable under O-rich and O-poor conditions, respectively. The SrO/Ga interface is reconstructed via the formation of Ga-Ga dimers while the Sr/As interface is abrupt and consistent with the experiment. DFT calculations further reveal that intrinsic two-dimensional electron gas (2DEG) forms in both SrO/Ga and Sr/As interfaces, and the Fermi level is pinned to the localized 2DEG states. Interfacial O vacancies can enhance the 2DEG density while it is possible for Ga/As vacancies to unpin the Fermi level from the 2DEG states.

Graphical User Interface Programming in Introductory Computer Science.

ERIC Educational Resources Information Center

Skolnick, Michael M.; Spooner, David L.

Modern computing systems exploit graphical user interfaces for interaction with users; as a result, introductory computer science courses must begin to teach the principles underlying such interfaces. This paper presents an approach to graphical user interface (GUI) implementation that is simple enough for beginning students to understand, yet…

ClearTK 2.0: Design Patterns for Machine Learning in UIMA

PubMed Central

Bethard, Steven; Ogren, Philip; Becker, Lee

2014-01-01

ClearTK adds machine learning functionality to the UIMA framework, providing wrappers to popular machine learning libraries, a rich feature extraction library that works across different classifiers, and utilities for applying and evaluating machine learning models. Since its inception in 2008, ClearTK has evolved in response to feedback from developers and the community. This evolution has followed a number of important design principles including: conceptually simple annotator interfaces, readable pipeline descriptions, minimal collection readers, type system agnostic code, modules organized for ease of import, and assisting user comprehension of the complex UIMA framework. PMID:29104966

ClearTK 2.0: Design Patterns for Machine Learning in UIMA.

PubMed

Bethard, Steven; Ogren, Philip; Becker, Lee

2014-05-01

ClearTK adds machine learning functionality to the UIMA framework, providing wrappers to popular machine learning libraries, a rich feature extraction library that works across different classifiers, and utilities for applying and evaluating machine learning models. Since its inception in 2008, ClearTK has evolved in response to feedback from developers and the community. This evolution has followed a number of important design principles including: conceptually simple annotator interfaces, readable pipeline descriptions, minimal collection readers, type system agnostic code, modules organized for ease of import, and assisting user comprehension of the complex UIMA framework.

Spin-polarized two-dimensional electron gas at GdTi O3/SrTi O3 interfaces: Insight from first-principles calculations

NASA Astrophysics Data System (ADS)

Betancourt, J.; Paudel, T. R.; Tsymbal, E. Y.; Velev, J. P.

2017-07-01

Two-dimensional electron gases (2DEGs) at oxide interfaces have been a topic of intensive research due to their high carrier mobility and strong confinement. Additionally, strong correlations in the oxide materials can give rise to new and interesting physics, such as magnetism and metal-insulator transitions at the interface. Using first-principles calculations based on density functional theory, we demonstrate the presence of a highly spin-polarized 2DEG at the interface between the Mott insulator GdTi O3 and a band insulator SrTi O3 . The strong correlations in the dopant cause ferromagnetic alignment of the interface Ti atoms and result in a fully spin-polarized 2DEG. The 2DEG consists of two types of carriers distinguished by their orbital character. The majority of the interface charge is strongly localized on the Ti dx y orbitals at the interface and a smaller fraction resides on the delocalized Ti dx z ,y z states.

Metal-directed design of supramolecular protein assemblies

PubMed Central

Bailey, Jake B.; Subramanian, Rohit H.; Churchfield, Lewis A.

2016-01-01

Owing to their central roles in cellular signaling, construction, and biochemistry, protein-protein interactions (PPIs) and protein self-assembly have become a major focus of molecular design and synthetic biology. In order to circumvent the complexity of constructing extensive non-covalent interfaces, which are typically involved in natural PPIs and protein self-assembly, we have developed two design strategies, Metal-Directed Protein Self-Assembly (MDPSA) and Metal-Templated Interface Redesign (MeTIR). These strategies, inspired by both the proposed evolutionary roles of metals and their prevalence in natural PPIs, take advantage of the favorable properties of metal coordination (bonding strength, directionality, and reversibility) to guide protein self-assembly with minimal design and engineering. Using a small, monomeric protein (cytochrome cb562) as a model building block, we employed MDPSA and MeTIR to create a diverse array of functional supramolecular architectures which range from structurally tunable oligomers to metalloprotein complexes that can properly self-assemble in living cells into novel metalloenzymes. The design principles and strategies outlined herein should be readily applicable to other protein systems with the goal of creating new PPIs and protein assemblies with structures and functions not yet produced by natural evolution. PMID:27586336

A mobile Nursing Information System based on human-computer interaction design for improving quality of nursing.

PubMed

Su, Kuo-Wei; Liu, Cheng-Li

2012-06-01

A conventional Nursing Information System (NIS), which supports the role of nurse in some areas, is typically deployed as an immobile system. However, the traditional information system can't response to patients' conditions in real-time, causing delays on the availability of this information. With the advances of information technology, mobile devices are increasingly being used to extend the human mind's limited capacity to recall and process large numbers of relevant variables and to support information management, general administration, and clinical practice. Unfortunately, there have been few studies about the combination of a well-designed small-screen interface with a personal digital assistant (PDA) in clinical nursing. Some researchers found that user interface design is an important factor in determining the usability and potential use of a mobile system. Therefore, this study proposed a systematic approach to the development of a mobile nursing information system (MNIS) based on Mobile Human-Computer Interaction (M-HCI) for use in clinical nursing. The system combines principles of small-screen interface design with user-specified requirements. In addition, the iconic functions were designed with metaphor concept that will help users learn the system more quickly with less working-memory. An experiment involving learnability testing, thinking aloud and a questionnaire investigation was conducted for evaluating the effect of MNIS on PDA. The results show that the proposed MNIS is good on learning and higher satisfaction on symbol investigation, terminology and system information.

Conductivity of an atomically defined metallic interface

PubMed Central

Oliver, David J.; Maassen, Jesse; El Ouali, Mehdi; Paul, William; Hagedorn, Till; Miyahara, Yoichi; Qi, Yue; Guo, Hong; Grütter, Peter

2012-01-01

A mechanically formed electrical nanocontact between gold and tungsten is a prototypical junction between metals with dissimilar electronic structure. Through atomically characterized nanoindentation experiments and first-principles quantum transport calculations, we find that the ballistic conduction across this intermetallic interface is drastically reduced because of the fundamental mismatch between s wave-like modes of electron conduction in the gold and d wave-like modes in the tungsten. The mechanical formation of the junction introduces defects and disorder, which act as an additional source of conduction losses and increase junction resistance by up to an order of magnitude. These findings apply to nanoelectronics and semiconductor device design. The technique that we use is very broadly applicable to molecular electronics, nanoscale contact mechanics, and scanning tunneling microscopy. PMID:23129661

Stability and charge separation of different CH3NH3SnI3/TiO2 interface: A first-principles study

NASA Astrophysics Data System (ADS)

Yang, Zhenzhen; Wang, Yuanxu; Liu, Yunyan

2018-05-01

Interface has an important effect on charge separation of perovskite solar cells. Using first-principles calculations, we studied several different interfaces between CH3NH3SnI3 and TiO2. The interfacial structure and electronic structure of these interfaces are thoroughly explored. We found that the SnI2/anatase (SnI2/A) system is more stable than the other three systems, because an anatase surface can make Snsbnd I bond faster restore to the pristine value than a rutile surface, and SnI2/A system has a smaller standard deviation. The calculated plane-averaged electrostatic potential and the density of states suggest that SnI2/anatase interface has a better separation of photo-generated electron-hole pairs.

Information Visualization: The State of the Art for Maritime Domain Awareness

DTIC Science & Technology

2006-08-01

les auteurs et aux évaluations de la qualité de certains documents, mots-clés et liens. La version sur papier de cette base de données se trouve à...interface design principles, psychological studies, and perception research • include a review of visualization theory including current visualization...builds on that a theory of how maps are understood (knowledge schemata and cognitive representations), and then analyses the use of symbols and

Improving Intercontinental Ballistic Missile Maintenance Scheduling Through the Use of Location Analysis Methodologies

DTIC Science & Technology

2006-03-01

factors that “maximize the benefit of location to the firm” ( Heizer & Render , 2004:302-307). In the book, Facility Location: Applications and Theory...Fylstra, D., Lasdon, L., Watson, J. and Waren, A. “Design and Use of the Microsoft Excel Solver,” Interfaces, 28(5):29-55, 1998. Heizer , Jay...and Render , Barry. Principles of Operations Management (5th ed.). New Jersey: Pearson Education Inc., 2004. Hofstra University. (n.d.). Von

Improving social connection through a communities-of-practice-inspired cognitive work analysis approach.

PubMed

Euerby, Adam; Burns, Catherine M

2014-03-01

Increasingly, people work in socially networked environments. With growing adoption of enterprise social network technologies, supporting effective social community is becoming an important factor in organizational success. Relatively few human factors methods have been applied to social connection in communities. Although team methods provide a contribution, they do not suit design for communities. Wenger's community of practice concept, combined with cognitive work analysis, provided one way of designing for community. We used a cognitive work analysis approach modified with principles for supporting communities of practice to generate a new website design. Over several months, the community using the site was studied to examine their degree of social connectedness and communication levels. Social network analysis and communications analysis, conducted at three different intervals, showed increases in connections between people and between people and organizations, as well as increased communication following the launch of the new design. In this work, we suggest that human factors approaches can be effective in social environments, when applied considering social community principles. This work has implications for the development of new human factors methods as well as the design of interfaces for sociotechnical systems that have community building requirements.

Scaling Principles for Understanding and Exploiting Adhesion

NASA Astrophysics Data System (ADS)

Crosby, Alfred

A grand challenge in the science of adhesion is the development of a general design paradigm for adhesive materials that can sustain large forces across an interface yet be detached with minimal force upon command. Essential to this challenge is the generality of achieving this performance under a wide set of external conditions and across an extensive range of forces. Nature has provided some guidance through various examples, e.g. geckos, for how to meet this challenge; however, a single solution is not evident upon initial investigation. To help provide insight into nature's ability to scale reversible adhesion and adapt to different external constraints, we have developed a general scaling theory that describes the force capacity of an adhesive interface in the context of biological locomotion. We have demonstrated that this scaling theory can be used to understand the relative performance of a wide range of organisms, including numerous gecko species and insects, as well as an extensive library of synthetic adhesive materials. We will present the development and testing of this scaling theory, and how this understanding has helped guide the development of new composite materials for high capacity adhesives. We will also demonstrate how this scaling theory has led to the development of new strategies for transfer printing and adhesive applications in manufacturing processes. Overall, the developed scaling principles provide a framework for guiding the design of adhesives.

Surging Seas Risk Finder: A Simple Search-Based Web Tool for Local Sea Level Rise Projections, Coastal Flood Risk Forecasts, and Inundation Exposure Analysis

NASA Astrophysics Data System (ADS)

Strauss, B.; Dodson, D.; Kulp, S. A.; Rizza, D. H.

2016-12-01

Surging Seas Risk Finder (riskfinder.org) is an online tool for accessing extensive local projections and analysis of sea level rise; coastal floods; and land, populations, contamination sources, and infrastructure and other assets that may be exposed to inundation. Risk Finder was first published in 2013 for Florida, New York and New Jersey, expanding to all states in the contiguous U.S. by 2016, when a major new version of the tool was released with a completely new interface. The revised tool was informed by hundreds of survey responses from and conversations with planners, local officials and other coastal stakeholders, plus consideration of modern best practices for responsive web design and user interfaces, and social science-based principles for science communication. Overarching design principles include simplicity and ease of navigation, leading to a landing page with Google-like sparsity and focus on search, and to an architecture based on search, so that each coastal zip code, city, county, state or other place type has its own webpage gathering all relevant analysis in modular, scrollable units. Millions of users have visited the Surging Seas suite of tools to date, and downloaded thousands of files, for stated purposes ranging from planning to business to education to personal decisions; and from institutions ranging from local to federal government agencies, to businesses, to NGOs, and to academia.

First-principles quantum-mechanical investigations of biomass conversion at the liquid-solid interfaces

NASA Astrophysics Data System (ADS)

Dang, Hongli; Xue, Wenhua; Liu, Yingdi; Jentoft, Friederike; Resasco, Daniel; Wang, Sanwu

2014-03-01

We report first-principles density-functional calculations and ab initio molecular dynamics (MD) simulations for the reactions involving furfural, which is an important intermediate in biomass conversion, at the catalytic liquid-solid interfaces. The different dynamic processes of furfural at the water-Cu(111) and water-Pd(111) interfaces suggest different catalytic reaction mechanisms for the conversion of furfural. Simulations for the dynamic processes with and without hydrogen demonstrate the importance of the liquid-solid interface as well as the presence of hydrogen in possible catalytic reactions including hydrogenation and decarbonylation of furfural. Supported by DOE (DE-SC0004600). This research used the supercomputer resources of the XSEDE, the NERSC Center, and the Tandy Supercomputing Center.

Surface- and interface-engineered heterostructures for solar hydrogen generation

NASA Astrophysics Data System (ADS)

Chen, Xiangyan; Li, Yanrui; Shen, Shaohua

2018-04-01

Photoelectrochemical (PEC) water splitting based on semiconductor photoelectrodes provides a promising platform for reducing environmental pollution and solving the energy crisis by developing clean, sustainable and environmentally friendly hydrogen energy. In this context, metal oxides with their advantages including low cost, good chemical stability and environmental friendliness, have attracted extensive attention among the investigated candidates. However, the large bandgap, poor charge transfer ability and high charge recombination rate limit the PEC performance of metal oxides as photoelectrodes. To solve this limitation, many approaches toward enhanced PEC water splitting performance, which focus on surface and interface engineering, have been presented. In this topical review, we concentrate on the heterostructure design of some typical metal oxides with narrow bandgaps (e.g. Fe2O3, WO3, BiVO4 and Cu2O) as photoelectrodes. An overview of the surface- and interface-engineered heterostructures, including semiconductor heterojunctions, surface protection, surface passivation and cocatalyst decoration, will be given to introduce the recent advances in metal oxide heterostructures for PEC water splitting. This article aims to provide fundamental references and principles for designing metal oxide heterostructures with high activity and stability as photoelectrodes for PEC solar hydrogen generation.

First-Principles Study on the Tensile Properties and Failure Mechanism of the CoSb3/Ti Interface

NASA Astrophysics Data System (ADS)

She, Wuchang; Liu, Qiwen; Mei, Hai; Zhai, Pengcheng; Li, Jun; Liu, Lisheng

2018-06-01

The mechanical properties of the CoSb3/Ti interface play a critical role in the application of thermoelectric devices. To understand the failure mechanism of the CoSb3(001)/Ti(01 \\bar{1} 0) interface, we investigated its response during tensile deformations by first-principles calculations. By comparison with the result between the perfect interface and the interface after atomic migration, we find that the atomic migration at the interface has an obvious influence on the mechanical properties. The tensile tests indicate the ideal tensile stress of the CoSb3/Ti interface after atomic migration decreases by about 8.1% as compared to that of the perfect one. The failure mechanism of the perfect CoSb3/Ti interface is different from that of the migrated CoSb3/Ti interface. For the perfect CoSb3/Ti interface, the breakage of the Co-Sb bond leads to the failure of the system. For the CoSb3/Ti interface after atomic migration, the breakage of the Sb-Sb bond leads to the failure of the system. This is mainly because the new ionic Ti-Sb bonds make the electrons redistributed and weaken the stiffness of the Co-Sb bonds.

Driving nanocars and nanomachines at interfaces: From concept of nanoarchitectonics to actual use in world wide race and hand operation

NASA Astrophysics Data System (ADS)

Shirai, Yasuhiro; Minami, Kosuke; Nakanishi, Waka; Yonamine, Yusuke; Joachim, Christian; Ariga, Katsuhiko

2016-11-01

Nanomachine and molecular machines are state-of-the-art objects in current physics and chemistry. The operation and manufacturing of nanosize machines are top-level technologies that we have desired to accomplish for a long time. There have been extensive attempts to design and synthesize nanomachines. In this paper, we review the these attempts using the concept of nanoarchitectonics toward the design, synthesis, and testing of molecular machinery, especially at interfacial media. In the first half of this review, various historical attempts to design and prepare nanomachines are introduced as well as their operation mechanisms from their basic principles. Furthermore, in order to emphasize the importance and possibilities of this research field, we also give examples of two new challenging topics in the second half of this review: (i) a world wide nanocar race and (ii) new modes of nanomachine operation on water. The nanocar race event involves actual use of nanomachines and will take place in the near future, and nanomachine operation of a dynamic fluidic interface will enable future advances in nanomachine science and technology.

Human Factors of Remotely Piloted Aircraft

NASA Technical Reports Server (NTRS)

Hobbs, Alan Neville

2014-01-01

The civilian use of remotely piloted, or unmanned aircraft is expected to increase rapidly in the years ahead. Despite being referred to as unmanned some of the major challenges confronting this emerging sector relate to human factors. As unmanned aircraft systems (UAS) are introduced into civil airspace, a failure to adequately consider human factors could result in preventable accidents that may not only result in loss of life, but may also undermine public confidence in remotely piloted operations. Key issues include pilot situational awareness, collision avoidance in the absence of an out-the-window view, the effects of time delays in communication and control systems, control handovers, the challenges of very long duration flights, and the design of the control station. Problems have included poor physical layout of controls, non-intuitive automation interfaces, an over-reliance on text displays, and complicated sequences of menu selection to perform routine tasks. Some of the interface problems may have been prevented had an existing regulation or cockpit design principle been applied. In other cases, the design problems may indicate a lack of suitable guidance material.

Evaluation of the Rotational Throttle Interface for Converting Aircraft Utilizing the NASA Ames Vertical Motion Simulator

NASA Technical Reports Server (NTRS)

Rozovski, David; Theodore, Colin R.

2011-01-01

An experiment was conducted to compare a conventional helicopter Thrust Control Lever (TCL) to the Rotational Throttle Interface (RTI) for tiltrotor aircraft. The RTI is designed to adjust its orientation to match the angle of the tiltrotor s nacelles. The underlying principle behind the design is to increase pilot awareness of the vehicle s configuration state (i.e. nacelle angle). Four test pilots flew multiple runs on seven different experimental courses. Three predominant effects were discovered in the testing of the RTI: 1. Unintentional binding along the control axis resulted in difficulties with precision power setting, 2. Confusion in which way to move the throttle grip was present during RTI transition modes, and 3. Pilots were not able to distinguish small angle differences during RTI transition. In this experiment the pilots were able to successfully perform all of the required tasks with both inceptors although the handling qualities ratings were slightly worse for the RTI partly due to unforeseen deficiencies in the design. Pilots did however report improved understanding of nacelle movement during transitions with the RTI.

Effect of two layouts on high technology AAC navigation and content location by people with aphasia.

PubMed

Wallace, Sarah E; Hux, Karen

2014-03-01

Navigating high-technology augmentative and alternative communication (AAC) devices with dynamic displays can be challenging for people with aphasia. The purpose of this study was to determine which of two AAC interfaces two people with aphasia could use most efficiently and accurately. The researchers used a BCB'C' alternating treatment design to provide device-use instruction to two people with severe aphasia regarding two personalised AAC interfaces that had different navigation layouts but identical content. One interface had static buttons for homepage and go-back features, and the other interface had static buttons in a navigation ring layout. Throughout treatment, the researchers monitored participants' mastery patterns regarding navigation efficiency and accuracy when locating target messages. Participants' accuracy and efficiency improved with both interfaces given intervention; however, the navigation ring layout appeared more transparent and better facilitated navigation than the homepage layout. People with aphasia can learn to navigate computerised devices; however, interface layout can substantially affect the efficiency and accuracy with which they locate messages. Given intervention incorporating errorless learning principles, people with chronic aphasia can learn to navigate across multiple device levels to locate target sentences. Both navigation ring and homepage interfaces may be used by people with aphasia. Some people with aphasia may be more consistent and efficient in finding target sentences using the navigation ring interface than the homepage interface. Additionally, the navigation ring interface may be more transparent and easier for people with aphasia to master--that is, they may require fewer intervention sessions to learn to navigate the navigation ring interface. Generalisation of learning may result from use of the navigation ring interface. Specifically, people with aphasia may improve navigation with the homepage interface as a result of instruction on the navigation interface, but not vice versa.

Exploiting Anti-T-shaped Graphene Architecture to Form Low Tortuosity, Sieve-like Interfaces for High-Performance Anodes for Li-Based Cells

PubMed Central

2017-01-01

Graphitic carbon anodes have long been used in Li ion batteries due to their combination of attractive properties, such as low cost, high gravimetric energy density, and good rate capability. However, one significant challenge is controlling, and optimizing, the nature and formation of the solid electrolyte interphase (SEI). Here it is demonstrated that carbon coating via chemical vapor deposition (CVD) facilitates high electrochemical performance of carbon anodes. We examine and characterize the substrate/vertical graphene interface (multilayer graphene nanowalls coated onto carbon paper via plasma enhanced CVD), revealing that these low-tortuosity and high-selection graphene nanowalls act as fast Li ion transport channels. Moreover, we determine that the hitherto neglected parallel layer acts as a protective surface at the interface, enhancing the anode performance. In summary, these findings not only clarify the synergistic role of the parallel functional interface when combined with vertical graphene nanowalls but also have facilitated the development of design principles for future high rate, high performance batteries. PMID:29392179

Interface-induced multiferroism by design in complex oxide superlattices

DOE PAGES

Guo, Hangwen; Wang, Zhen; Dong, Shuai; ...

2017-05-19

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La 2/3Sr 1/3MnO 3 (LSMO)/BaTiO 3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacingmore » with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling.« less

A study on the application of voice interaction in automotive human machine interface experience design

NASA Astrophysics Data System (ADS)

Huang, Zhaohui; Huang, Xiemin

2018-04-01

This paper, firstly, introduces the application trend of the integration of multi-channel interactions in automotive HMI ((Human Machine Interface) from complex information models faced by existing automotive HMI and describes various interaction modes. By comparing voice interaction and touch screen, gestures and other interaction modes, the potential and feasibility of voice interaction in automotive HMI experience design are concluded. Then, the related theories of voice interaction, identification technologies, human beings' cognitive models of voices and voice design methods are further explored. And the research priority of this paper is proposed, i.e. how to design voice interaction to create more humane task-oriented dialogue scenarios to enhance interactive experiences of automotive HMI. The specific scenarios in driving behaviors suitable for the use of voice interaction are studied and classified, and the usability principles and key elements for automotive HMI voice design are proposed according to the scenario features. Then, through the user participatory usability testing experiment, the dialogue processes of voice interaction in automotive HMI are defined. The logics and grammars in voice interaction are classified according to the experimental results, and the mental models in the interaction processes are analyzed. At last, the voice interaction design method to create the humane task-oriented dialogue scenarios in the driving environment is proposed.

Guide for Operational Configuration Management Program including the adjunct programs of design reconstitution and material condition and aging management. Part 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This standard presents program criteria and implementation guidance for an operational configuration management program for DOE nuclear and non-nuclear facilities in the operational phase. Portions of this standard are also useful for other DOE processes, activities, and programs. This Part 1 contains foreword, glossary, acronyms, bibliography, and Chapter 1 on operational configuration management program principles. Appendices are included on configuration management program interfaces, and background material and concepts for operational configuration management.

Implementing Strategic Planning Capabilities Within the Mars Relay Operations Service

NASA Technical Reports Server (NTRS)

Hy, Franklin

2011-01-01

Throughout this development and deployment process we have followed a few guiding principles: (1) Ensure ubiquitous access through ReSTful and web interfaces; (2) Design a system that is mission and even planet agnostic so that future missions may be added with little hassle, and the system itself may be redeployed for other planetary relay networks; (3) Accept constant input and feedback between mission operators and the development team to ensure that there is a useful product that may be used for years to come.

First principles investigation of SiC/AlGaN(0001) band offset

NASA Astrophysics Data System (ADS)

Kojima, E.; Endo, K.; Shirakawa, H.; Chokawa, K.; Araidai, M.; Ebihara, Y.; Kanemura, T.; Onda, S.; Shiraishi, K.

2017-06-01

We are attempting to develop a new type of vertical MOSFET with SiC/AlGaN heterojunction. Toward the realization of the vertical MOSFET, the control of conduction-band offset is one of the crucial subjects. We investigated the conduction-band offset of 4H-SiC/AlxGa1-xN interface by the first-principles electronic structure calculations. We found that the offset of the interface with 40% Al content becomes almost zero. Therefore, 4H-SiC/Al0.4Ga0.6N interface is one of the most promising candidates for the vertical MOSFET in future power conversion devices.

A first-principles study of As doping at a disordered Si-SiO2 interface.

PubMed

Corsetti, Fabiano; Mostofi, Arash A

2014-02-05

Understanding the interaction between dopants and semiconductor-oxide interfaces is an increasingly important concern in the drive to further miniaturize modern transistors. To this end, using a combination of first-principles density-functional theory and a continuous random network Monte Carlo method, we investigate electrically active arsenic donors at the interface between silicon and its oxide. Using a realistic model of the disordered interface, we find that a small percentage (on the order of ∼10%) of the atomic sites in the first few monolayers on the silicon side of the interface are energetically favourable for segregation, and that this is controlled by the local bonding and local strain of the defect centre. We also find that there is a long-range quantum confinement effect due to the interface, which results in an energy barrier for dopant segregation, but that this barrier is small in comparison to the effect of the local environment. Finally, we consider the extent to which the energetics of segregation can be controlled by the application of strain to the interface.

Surface State Density Determines the Energy Level Alignment at Hybrid Perovskite/Electron Acceptors Interfaces.

PubMed

Zu, Fengshuo; Amsalem, Patrick; Ralaiarisoa, Maryline; Schultz, Thorsten; Schlesinger, Raphael; Koch, Norbert

2017-11-29

Substantial variations in the electronic structure and thus possibly conflicting energetics at interfaces between hybrid perovskites and charge transport layers in solar cells have been reported by the research community. In an attempt to unravel the origin of these variations and enable reliable device design, we demonstrate that donor-like surface states stemming from reduced lead (Pb 0 ) directly impact the energy level alignment at perovskite (CH 3 NH 3 PbI 3-x Cl x ) and molecular electron acceptor layer interfaces using photoelectron spectroscopy. When forming the interfaces, it is found that electron transfer from surface states to acceptor molecules occurs, leading to a strong decrease in the density of ionized surface states. As a consequence, for perovskite samples with low surface state density, the initial band bending at the pristine perovskite surface can be flattened upon interface formation. In contrast, for perovskites with a high surface state density, the Fermi level is strongly pinned at the conduction band edge, and only minor changes in surface band bending are observed upon acceptor deposition. Consequently, depending on the initial perovskite surface state density, very different interface energy level alignment situations (variations over 0.5 eV) are demonstrated and rationalized. Our findings help explain the rather dissimilar reported energy levels at interfaces with perovskites, refining our understanding of the operating principles in devices comprising this material.

An improved design method for EPC middleware

NASA Astrophysics Data System (ADS)

Lou, Guohuan; Xu, Ran; Yang, Chunming

2014-04-01

For currently existed problems and difficulties during the small and medium enterprises use EPC (Electronic Product Code) ALE (Application Level Events) specification to achieved middleware, based on the analysis of principle of EPC Middleware, an improved design method for EPC middleware is presented. This method combines the powerful function of MySQL database, uses database to connect reader-writer with upper application system, instead of development of ALE application program interface to achieve a middleware with general function. This structure is simple and easy to implement and maintain. Under this structure, different types of reader-writers added can be configured conveniently and the expandability of the system is improved.

Fingertip-shaped optical tactile sensor for robotic applications

NASA Technical Reports Server (NTRS)

Begej, Stefan

1988-01-01

Progress is described regarding the development of a high-density, fiber-optic, fingertip-shaped tactile sensor specifically designed for application to dexterous robotics. The sensor operates on optical principles involving the frustration of total internal reflection at a waveguide/elastomer interface and generates a grey-scale tactile image that represents the normal forces of contact. The sensor contains 256 taxels (sensing sites) distributed in a dual-density pattern that includes a tactile fovea near the tip which measures 13 mm x 13 mm and contains 169 taxels. The details regarding the design and construction of this tactile sensor are presented, in addition to photographs of tactile imprints.

Design of multi-language trading system of ethnic characteristic agricultural products based on android

NASA Astrophysics Data System (ADS)

Huanqin, Wu; Yasheng, Jin; Yugang, Dai

2017-06-01

Under the current situation where Internet technology develops rapidly, mobile E-commerce technology has brought great convenience to our life. Now, the graphical user interface (GUI) of most E-commerce platforms only supports Chinese. Thus, the development of Android client of E-commerce that supports ethnic languages owns a great prospect. The principle that combines front end design and database technology is adopted in this paper to construct the Android client system of E-commerce platforms that supports ethnic languages, which realizes the displaying, browsing, querying, searching, trading and other functions of ethnic characteristic agricultural products on android platforms.

Petascale supercomputing to accelerate the design of high-temperature alloys

DOE PAGES

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; ...

2017-10-25

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

Petascale supercomputing to accelerate the design of high-temperature alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

Feasibility Study and Design of a Wearable System-on-a-Chip Pulse Radar for Contactless Cardiopulmonary Monitoring

PubMed Central

Zito, Domenico; Pepe, Domenico; Neri, Bruno; Zito, Fabio; De Rossi, Danilo; Lanatà, Antonio

2008-01-01

A new system-on-a-chip radar sensor for next-generation wearable wireless interface applied to the human health care and safeguard is presented. The system overview is provided and the feasibility study of the radar sensor is presented. In detail, the overall system consists of a radar sensor for detecting the heart and breath rates and a low-power IEEE 802.15.4 ZigBee radio interface, which provides a wireless data link with remote data acquisition and control units. In particular, the pulse radar exploits 3.1–10.6 GHz ultra-wideband signals which allow a significant reduction of the transceiver complexity and then of its power consumption. The operating principle of the radar for the cardiopulmonary monitoring is highlighted and the results of the system analysis are reported. Moreover, the results obtained from the building-blocks design, the channel measurement, and the ultra-wideband antenna realization are reported. PMID:18389068

Petascale supercomputing to accelerate the design of high-temperature alloys

NASA Astrophysics Data System (ADS)

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; Haynes, J. Allen

2017-12-01

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ‧-Al2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviour of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. The approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.

Medication Reconciliation: Work Domain Ontology, prototype development, and a predictive model.

PubMed

Markowitz, Eliz; Bernstam, Elmer V; Herskovic, Jorge; Zhang, Jiajie; Shneiderman, Ben; Plaisant, Catherine; Johnson, Todd R

2011-01-01

Medication errors can result from administration inaccuracies at any point of care and are a major cause for concern. To develop a successful Medication Reconciliation (MR) tool, we believe it necessary to build a Work Domain Ontology (WDO) for the MR process. A WDO defines the explicit, abstract, implementation-independent description of the task by separating the task from work context, application technology, and cognitive architecture. We developed a prototype based upon the WDO and designed to adhere to standard principles of interface design. The prototype was compared to Legacy Health System's and Pre-Admission Medication List Builder MR tools via a Keystroke-Level Model analysis for three MR tasks. The analysis found the prototype requires the fewest mental operations, completes tasks in the fewest steps, and completes tasks in the least amount of time. Accordingly, we believe that developing a MR tool, based upon the WDO and user interface guidelines, improves user efficiency and reduces cognitive load.

Medication Reconciliation: Work Domain Ontology, Prototype Development, and a Predictive Model

PubMed Central

Markowitz, Eliz; Bernstam, Elmer V.; Herskovic, Jorge; Zhang, Jiajie; Shneiderman, Ben; Plaisant, Catherine; Johnson, Todd R.

2011-01-01

Medication errors can result from administration inaccuracies at any point of care and are a major cause for concern. To develop a successful Medication Reconciliation (MR) tool, we believe it necessary to build a Work Domain Ontology (WDO) for the MR process. A WDO defines the explicit, abstract, implementation-independent description of the task by separating the task from work context, application technology, and cognitive architecture. We developed a prototype based upon the WDO and designed to adhere to standard principles of interface design. The prototype was compared to Legacy Health System’s and Pre-Admission Medication List Builder MR tools via a Keystroke-Level Model analysis for three MR tasks. The analysis found the prototype requires the fewest mental operations, completes tasks in the fewest steps, and completes tasks in the least amount of time. Accordingly, we believe that developing a MR tool, based upon the WDO and user interface guidelines, improves user efficiency and reduces cognitive load. PMID:22195146

Next Gen One Portal Usability Evaluation

NASA Technical Reports Server (NTRS)

Cross, E. V., III; Perera, J. S.; Hanson, A. M.; English, K.; Vu, L.; Amonette, W.

2018-01-01

Each exercise device on the International Space Station (ISS) has a unique, customized software system interface with unique layouts / hierarchy, and operational principles that require significant crew training. Furthermore, the software programs are not adaptable and provide no real-time feedback or motivation to enhance the exercise experience and/or prevent injuries. Additionally, the graphical user interfaces (GUI) of these systems present information through multiple layers resulting in difficulty navigating to the desired screens and functions. These limitations of current exercise device GUI's lead to increased crew time spent on initiating, loading, performing exercises, logging data and exiting the system. To address these limitations a Next Generation One Portal (NextGen One Portal) Crew Countermeasure System (CMS) was developed, which utilizes the latest industry guidelines in GUI designs to provide an intuitive ease of use approach (i.e., 80% of the functionality gained within 5-10 minutes of initial use without/limited formal training required). This is accomplished by providing a consistent interface using common software to reduce crew training, increase efficiency & user satisfaction while also reducing development & maintenance costs. Results from the usability evaluations showed the NextGen One Portal UI having greater efficiency, learnability, memorability, usability and overall user experience than the current Advanced Resistive Exercise Device (ARED) UI used by astronauts on ISS. Specifically, the design of the One-Portal UI as an app interface similar to those found on the Apple and Google's App Store, assisted many of the participants in grasping the concepts of the interface with minimum training. Although the NextGen One-Portal UI was shown to be an overall better interface, observations by the test facilitators noted specific exercise tasks appeared to have a significant impact on the NextGen One-Portal UI efficiency. Future updates to the NextGen One Portal UI will address these inefficiencies.

Design of decision support interventions for medication prescribing.

PubMed

Horsky, Jan; Phansalkar, Shobha; Desai, Amrita; Bell, Douglas; Middleton, Blackford

2013-06-01

Describe optimal design attributes of clinical decision support (CDS) interventions for medication prescribing, emphasizing perceptual, cognitive and functional characteristics that improve human-computer interaction (HCI) and patient safety. Findings from published reports on success, failures and lessons learned during implementation of CDS systems were reviewed and interpreted with regard to HCI and software usability principles. We then formulated design recommendations for CDS alerts that would reduce unnecessary workflow interruptions and allow clinicians to make informed decisions quickly, accurately and without extraneous cognitive and interactive effort. Excessive alerting that tends to distract clinicians rather than provide effective CDS can be reduced by designing only high severity alerts as interruptive dialog boxes and less severe warnings without explicit response requirement, by curating system knowledge bases to suppress warnings with low clinical utility and by integrating contextual patient data into the decision logic. Recommended design principles include parsimonious and consistent use of color and language, minimalist approach to the layout of information and controls, the use of font attributes to convey hierarchy and visual prominence of important data over supporting information, the inclusion of relevant patient data in the context of the alert and allowing clinicians to respond with one or two clicks. Although HCI and usability principles are well established and robust, CDS and EHR system interfaces rarely conform to the best known design conventions and are seldom conceived and designed well enough to be truly versatile and dependable tools. These relatively novel interventions still require careful monitoring, research and analysis of its track record to mature. Clarity and specificity of alert content and optimal perceptual and cognitive attributes, for example, are essential for providing effective decision support to clinicians. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Region based Brain Computer Interface for a home control application.

PubMed

Akman Aydin, Eda; Bay, Omer Faruk; Guler, Inan

2015-08-01

Environment control is one of the important challenges for disabled people who suffer from neuromuscular diseases. Brain Computer Interface (BCI) provides a communication channel between the human brain and the environment without requiring any muscular activation. The most important expectation for a home control application is high accuracy and reliable control. Region-based paradigm is a stimulus paradigm based on oddball principle and requires selection of a target at two levels. This paper presents an application of region based paradigm for a smart home control application for people with neuromuscular diseases. In this study, a region based stimulus interface containing 49 commands was designed. Five non-disabled subjects were attended to the experiments. Offline analysis results of the experiments yielded 95% accuracy for five flashes. This result showed that region based paradigm can be used to select commands of a smart home control application with high accuracy in the low number of repetitions successfully. Furthermore, a statistically significant difference was not observed between the level accuracies.

Integrating Patient-Reported Outcomes into Spine Surgical Care through Visual Dashboards: Lessons Learned from Human-Centered Design.

PubMed

Hartzler, Andrea L; Chaudhuri, Shomir; Fey, Brett C; Flum, David R; Lavallee, Danielle

2015-01-01

The collection of patient-reported outcomes (PROs) draws attention to issues of importance to patients-physical function and quality of life. The integration of PRO data into clinical decisions and discussions with patients requires thoughtful design of user-friendly interfaces that consider user experience and present data in personalized ways to enhance patient care. Whereas most prior work on PROs focuses on capturing data from patients, little research details how to design effective user interfaces that facilitate use of this data in clinical practice. We share lessons learned from engaging health care professionals to inform design of visual dashboards, an emerging type of health information technology (HIT). We employed human-centered design (HCD) methods to create visual displays of PROs to support patient care and quality improvement. HCD aims to optimize the design of interactive systems through iterative input from representative users who are likely to use the system in the future. Through three major steps, we engaged health care professionals in targeted, iterative design activities to inform the development of a PRO Dashboard that visually displays patient-reported pain and disability outcomes following spine surgery. Design activities to engage health care administrators, providers, and staff guided our work from design concept to specifications for dashboard implementation. Stakeholder feedback from these health care professionals shaped user interface design features, including predefined overviews that illustrate at-a-glance trends and quarterly snapshots, granular data filters that enable users to dive into detailed PRO analytics, and user-defined views to share and reuse. Feedback also revealed important considerations for quality indicators and privacy-preserving sharing and use of PROs. Our work illustrates a range of engagement methods guided by human-centered principles and design recommendations for optimizing PRO Dashboards for patient care and quality improvement. Engaging health care professionals as stakeholders is a critical step toward the design of user-friendly HIT that is accepted, usable, and has the potential to enhance quality of care and patient outcomes.

Application of a Modified Universal Design Survey for Evaluation of Ares 1 Ground Crew Worksites

NASA Technical Reports Server (NTRS)

Blume, Jennifer L.

2010-01-01

Operability is a driving requirement for NASA's Ares 1 launch vehicle. Launch site ground operations include several operator tasks to prepare the vehicle for launch or to perform maintenance. Ensuring that components requiring operator interaction at the launch site are designed for optimal human use is a high priority for operability. To support design evaluation, the Ares 1 Upper Stage (US) element Human Factors Engineering (HFE) group developed a survey based on the Universal Design approach. Universal Design is a process to create products that can be used effectively by as many people as possible. Universal Design per se is not a priority for Ares 1 because launch vehicle processing is a specialized skill and not akin to a consumer product that should be used by all people of all abilities. However, applying principles of Universal Design will increase the probability of an error free and efficient design which is a priority for Ares 1. The Design Quality Evaluation Survey centers on the following seven principles: (1) Equitable use, (2) Flexibility in use, (3) Simple and intuitive use, (4) Perceptible information, (5) Tolerance for error, (6) Low physical effort, (7) Size and space for approach and use. Each principle is associated with multiple evaluation criteria which were rated with the degree to which the statement is true. All statements are phrased in the utmost positive, or the design goal so that the degree to which judgments tend toward "completely agree" directly reflects the degree to which the design is good. The Design Quality Evaluation Survey was employed for several US analyses. The tool was found to be most useful for comparative judgments as opposed to an assessment of a single design option. It provided a useful piece of additional data when assessing possible operator interfaces or worksites for operability

Realisation of magnetically and atomically abrupt half-metal/semiconductor interface: Co2FeSi0.5Al0.5/Ge(111)

PubMed Central

Nedelkoski, Zlatko; Kuerbanjiang, Balati; Glover, Stephanie E.; Sanchez, Ana M.; Kepaptsoglou, Demie; Ghasemi, Arsham; Burrows, Christopher W.; Yamada, Shinya; Hamaya, Kohei; Ramasse, Quentin M.; Hasnip, Philip J.; Hase, Thomas; Bell, Gavin R.; Hirohata, Atsufumi; Lazarov, Vlado K.

2016-01-01

Halfmetal-semiconductor interfaces are crucial for hybrid spintronic devices. Atomically sharp interfaces with high spin polarisation are required for efficient spin injection. In this work we show that thin film of half-metallic full Heusler alloy Co2FeSi0.5Al0.5 with uniform thickness and B2 ordering can form structurally abrupt interface with Ge(111). Atomic resolution energy dispersive X-ray spectroscopy reveals that there is a small outdiffusion of Ge into specific atomic planes of the Co2FeSi0.5Al0.5 film, limited to a very narrow 1 nm interface region. First-principles calculations show that this selective outdiffusion along the Fe-Si/Al atomic planes does not change the magnetic moment of the film up to the very interface. Polarized neutron reflectivity, x-ray reflectivity and aberration-corrected electron microscopy confirm that this interface is both magnetically and structurally abrupt. Finally, using first-principles calculations we show that this experimentally realised interface structure, terminated by Co-Ge bonds, preserves the high spin polarization at the Co2FeSi0.5Al0.5/Ge interface, hence can be used as a model to study spin injection from half-metals into semiconductors. PMID:27869132

From academic to applied: Operationalising resilience in river systems

NASA Astrophysics Data System (ADS)

Parsons, Melissa; Thoms, Martin C.

2018-03-01

The concept of resilience acknowledges the ability of societies to live and develop with dynamic environments. Given the recognition of the need to prepare for anticipated and unanticipated shocks, applications of resilience are increasing as the guiding principle of public policy and programs in areas such as disaster management, urban planning, natural resource management, and climate change adaptation. River science is an area in which the adoption of resilience is increasing, leading to the proposition that resilience may become a guiding principle of river policy and programs. Debate about the role of resilience in rivers is part of the scientific method, but disciplinary disunity about the ways to approach resilience application in policy and programs may leave river science out of the policy process. We propose six elements that need to be considered in the design and implementation of resilience-based river policy and programs: rivers as social-ecological systems; the science-policy interface; principles, capacities, and characteristics of resilience; cogeneration of knowledge; adaptive management; and the state of the science of resilience.

First-principles estimates of free energy barriers for Mg desolvation and intercalation at electrolyte/electrode interfaces

NASA Astrophysics Data System (ADS)

Wan, Liwen; Prendergast, David

2014-03-01

There is a growing interest in developing multivalent ion batteries that could, in principle, double or triple the energy density compared to the monovalent Li-ion batteries. However, the strong electrostatic interaction caused by the extra charge also makes it very challenging to find appropriate intercalation compounds that allow for relatively fast and reversible ion transport. An established working multivalent battery is comprised of Mg(AlCl2BuEt)2 salts in THF solution as the electrolyte, and Mg metal and Mo6S8 Chevrel phase as the anode and cathode, respectively. Currently, we lack a clear understanding of the mechanism for Mg desolvation and intercalation at the interface between the electrolyte and Chevrel phase surfaces, which is critical in designing new advanced battery systems with improved ion diffusion rate. Here, we present a theoretical investigation of the dynamics and kinetics of the Mg desolvation/intercalation process. The surface properties of Mo6S8 are studied for the first time using density functional theory (DFT) and its interaction with the electrolyte is simulated via an ab initio molecular dynamics (AIMD) approach. The free energy barrier for Mg diffusing through the interface is then calculated by performing a set of biased AIMD simulations. This work is supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences.

Lattice-matched heterojunctions between topological and normal insulators: A first-principles study

NASA Astrophysics Data System (ADS)

Lee, Hyungjun; Yazyev, Oleg V.

2017-02-01

Gapless boundary modes at the interface between topologically distinct regions are one of the most salient manifestations of topology in physics. Metallic boundary states of time-reversal-invariant topological insulators (TIs), a realization of topological order in condensed matter, have been of much interest not only due to such a fundamental nature, but also due to their practical significance. These boundary states are immune to backscattering and localization owing to their topological origin, thereby opening up the possibility to tailor them for potential uses in spintronics and quantum computing. The heterojunction between a TI and a normal insulator (NI) is a representative playground for exploring such a topologically protected metallic boundary state and expected to constitute a building block for future electronic and spintronic solid-state devices based on TIs. Here, we report a first-principles study of two experimentally realized lattice-matched heterojunctions between TIs and NIs, Bi2Se3 (0001)/InP(111) and Bi2Te3 (0001)/BaF2(111). We evaluate the band offsets at these interfaces from many-body perturbation theory within the G W approximation as well as density-functional theory. Furthermore, we investigate the topological interface states, demonstrating that at these lattice-matched heterointerfaces, they are strictly localized and their helical spin textures are as well preserved as those at the vacuum-facing surfaces. These results taken together may help in designing devices relying on spin-helical metallic boundary states of TIs.

A Data Definition Language for GLAD (Graphic Language for Databases).

DTIC Science & Technology

1986-06-20

basic premises. These principles state that a DBMS interface must be descriptive, powerful, easy-to use and easy to learn . This thesis proposes a data...basic premises. These principles state that a DBMS interface must be descriptive, powerful, easy to use and easy to learn . This thesis proposes a data...criteria will be the most successful. 9 If a system is hard to learn , of those capable of mastering the system few may be willing to expend the time and

Induced Ferromagnetism at BiFeO 3/YBa 2Cu 3O 7 Interfaces

DOE PAGES

Zhu, Jian-Xin; Wen, Xiao-Dong; Haraldsen, J. T.; ...

2014-06-20

We report that transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new functionalities can arise, which are absent in individual components. Here, we report results from first-principles calculations on the magnetism at the BiFeO 3/YBa 2Cu 3O 7 interfaces. By comparing the total energy for various magnetic spin configurations inside BiFeO 3, we are able to show that a metallic ferromagnetism is induced near the interface. We further develop an interface exchange-coupling model and place the extracted exchange coupling interactionmore » strengths, from the first-principles calculations, into a resultant generic phase diagram. Our conclusion of interfacial ferromagnetism is confirmed by the presence of a hysteresis loop in field-dependent magnetization data. Lastly, the emergence of interfacial ferromagnetism should have implications to electronic and transport properties.« less

How far away is plug 'n' play? Assessing the near-term potential of sonification and auditory display

NASA Technical Reports Server (NTRS)

Bargar, Robin

1995-01-01

The commercial music industry offers a broad range of plug 'n' play hardware and software scaled to music professionals and scaled to a broad consumer market. The principles of sound synthesis utilized in these products are relevant to application in virtual environments (VE). However, the closed architectures used in commercial music synthesizers are prohibitive to low-level control during real-time rendering, and the algorithms and sounds themselves are not standardized from product to product. To bring sound into VE requires a new generation of open architectures designed for human-controlled performance from interfaces embedded in immersive environments. This presentation addresses the state of the sonic arts in scientific computing and VE, analyzes research challenges facing sound computation, and offers suggestions regarding tools we might expect to become available during the next few years. A list of classes of audio functionality in VE includes sonification -- the use of sound to represent data from numerical models; 3D auditory display (spatialization and localization, also called externalization); navigation cues for positional orientation and for finding items or regions inside large spaces; voice recognition for controlling the computer; external communications between users in different spaces; and feedback to the user concerning his own actions or the state of the application interface. To effectively convey this considerable variety of signals, we apply principles of acoustic design to ensure the messages are neither confusing nor competing. We approach the design of auditory experience through a comprehensive structure for messages, and message interplay we refer to as an Automated Sound Environment. Our research addresses real-time sound synthesis, real-time signal processing and localization, interactive control of high-dimensional systems, and synchronization of sound and graphics.

Biological Signal Processing with a Genetic Toggle Switch

PubMed Central

Hillenbrand, Patrick; Fritz, Georg; Gerland, Ulrich

2013-01-01

Complex gene regulation requires responses that depend not only on the current levels of input signals but also on signals received in the past. In digital electronics, logic circuits with this property are referred to as sequential logic, in contrast to the simpler combinatorial logic without such internal memory. In molecular biology, memory is implemented in various forms such as biochemical modification of proteins or multistable gene circuits, but the design of the regulatory interface, which processes the input signals and the memory content, is often not well understood. Here, we explore design constraints for such regulatory interfaces using coarse-grained nonlinear models and stochastic simulations of detailed biochemical reaction networks. We test different designs for biological analogs of the most versatile memory element in digital electronics, the JK-latch. Our analysis shows that simple protein-protein interactions and protein-DNA binding are sufficient, in principle, to implement genetic circuits with the capabilities of a JK-latch. However, it also exposes fundamental limitations to its reliability, due to the fact that biological signal processing is asynchronous, in contrast to most digital electronics systems that feature a central clock to orchestrate the timing of all operations. We describe a seemingly natural way to improve the reliability by invoking the master-slave concept from digital electronics design. This concept could be useful to interpret the design of natural regulatory circuits, and for the design of synthetic biological systems. PMID:23874595

Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys.

PubMed

Choudhuri, D; Banerjee, R; Srinivasan, S G

2017-01-17

The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β 1 -Mg 3 Nd precipitates, that grow along 〈110〉 Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β 1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces- {112} β1 /{100} Mg and {111} β1 /{110} Mg - that are commensurate with β 1 /hcp-Mg orientation relationship via first principles calculations. We find that β 1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112} β1 /{100} Mg interfaces, and predict that β 1 grows along 〈110〉 Mg on dislocation lines due to the migration of metastable {111} β1 /{110} Mg . Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β 1 -like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces.

SURFEX v8.0 interface with OASIS3-MCT to couple atmosphere with hydrology, ocean, waves and sea-ice models, from coastal to global scales

NASA Astrophysics Data System (ADS)

Voldoire, Aurore; Decharme, Bertrand; Pianezze, Joris; Lebeaupin Brossier, Cindy; Sevault, Florence; Seyfried, Léo; Garnier, Valérie; Bielli, Soline; Valcke, Sophie; Alias, Antoinette; Accensi, Mickael; Ardhuin, Fabrice; Bouin, Marie-Noëlle; Ducrocq, Véronique; Faroux, Stéphanie; Giordani, Hervé; Léger, Fabien; Marsaleix, Patrick; Rainaud, Romain; Redelsperger, Jean-Luc; Richard, Evelyne; Riette, Sébastien

2017-11-01

This study presents the principles of the new coupling interface based on the SURFEX multi-surface model and the OASIS3-MCT coupler. As SURFEX can be plugged into several atmospheric models, it can be used in a wide range of applications, from global and regional coupled climate systems to high-resolution numerical weather prediction systems or very fine-scale models dedicated to process studies. The objective of this development is to build and share a common structure for the atmosphere-surface coupling of all these applications, involving on the one hand atmospheric models and on the other hand ocean, ice, hydrology, and wave models. The numerical and physical principles of SURFEX interface between the different component models are described, and the different coupled systems in which the SURFEX OASIS3-MCT-based coupling interface is already implemented are presented.

First-principles studies of magnetic complex oxide heterointerfaces

NASA Astrophysics Data System (ADS)

Rondinelli, James M.

Despite the technological advancements driven by conventional semiconductors, continued improvements in nanoelectronics will require new materials with greater functionality. Perovskite-structured transition metal oxides with ABO3 stoichiometry are leading candidates that display amyriad of useful phenomena: ferroelectricity, magnetism, and superconductivity. Since these properties arise from correlated electronic interactions, field-tuning techniques make possible ultra-fast phase transitions between dramatically different states. Unfortunately, the integration of these materials into microelectronics has not yet occurred because of a fundamental lack in understanding how to predict and control these phase transitions at oxide--oxide heterointerfaces. The exceedingly difficult challenge of identifying the microscopic origins of interface electronic behavior is crucial to the functional design and discovery of next generation electronic materials. This dissertation focuses on developing that understanding at magnetic perovskite oxide heterointerfaces using first-principles (parameter free) density functional calculations. New ideas for oxide-oxide superlattice design emerge by considering the interfaces as entirely new complex materials: the interfacial electronic and magnetic structure in artificial geometries is genuinely different from those of the parent bulk materials due to changes in symmetry- and size-dependent properties. By isolating the role of the interacting electron-, orbital-, and spin-lattice degrees of freedom at the interfaces, I identify that the primary interaction governing the ground state derives from latent instabilities present in the bulk phases. The heteroepitaxial structural constraints enhance these modes to re-normalize the low energy electronic structure. To develop insight into the role of thin film thickness and strain effects, I explore how the electronic and magnetic structures of single component films respond to the elastic constraints, in particular, whether ultra-thin layers of SrRuO3 are susceptible to a metal-insulator transition and if strained LaCoO3 films support reversible magnetic spin state transitions. I then examine how the interface between two dissimilar materials---a polarizable dielectric SrTiO3 and a ferromagneticmetal SrRuO 3---responds to an external electric field; I find a spin-dependent screening effect at the heterointerface that manifests as an interfacial magnetoelectric effect and makes possible electric-field control of magnetization. I then explore how the orbital degree of freedom in the electronically degenerate and magnetic SrFeO3 is modified by geometric confinement and changes in chemical bonding at a heterointerface with SrTiO3. I find lattice instabilities are enhanced in the superlattice, and their condensation leads to an electronic phase transition. By isolating the chemical effects at the heterointerface, I identify an additional route to control octahedral rotation patterns pervasive in perovskite oxides films through structural coherency. This study suggests a complementary strain-free avenue for functional thin film design. The materials understanding obtained from these first-principles calculations, when leveraged with new synthesis techniques, offers to have substantial impact on the search and control of new functionalities in oxide heterostructures.

Assessment of Human Factors

NASA Technical Reports Server (NTRS)

Mount, Frances; Foley, Tico

1999-01-01

Human Factors Engineering, often referred to as Ergonomics, is a science that applies a detailed understanding of human characteristics, capabilities, and limitations to the design, evaluation, and operation of environments, tools, and systems for work and daily living. Human Factors is the investigation, design, and evaluation of equipment, techniques, procedures, facilities, and human interfaces, and encompasses all aspects of human activity from manual labor to mental processing and leisure time enjoyments. In spaceflight applications, human factors engineering seeks to: (1) ensure that a task can be accomplished, (2) maintain productivity during spaceflight, and (3) ensure the habitability of the pressurized living areas. DSO 904 served as a vehicle for the verification and elucidation of human factors principles and tools in the microgravity environment. Over six flights, twelve topics were investigated. This study documented the strengths and limitations of human operators in a complex, multifaceted, and unique environment. By focusing on the man-machine interface in space flight activities, it was determined which designs allow astronauts to be optimally productive during valuable and costly space flights. Among the most promising areas of inquiry were procedures, tools, habitat, environmental conditions, tasking, work load, flexibility, and individual control over work.

A framework for analyzing the cognitive complexity of computer-assisted clinical ordering.

PubMed

Horsky, Jan; Kaufman, David R; Oppenheim, Michael I; Patel, Vimla L

2003-01-01

Computer-assisted provider order entry is a technology that is designed to expedite medical ordering and to reduce the frequency of preventable errors. This paper presents a multifaceted cognitive methodology for the characterization of cognitive demands of a medical information system. Our investigation was informed by the distributed resources (DR) model, a novel approach designed to describe the dimensions of user interfaces that introduce unnecessary cognitive complexity. This method evaluates the relative distribution of external (system) and internal (user) representations embodied in system interaction. We conducted an expert walkthrough evaluation of a commercial order entry system, followed by a simulated clinical ordering task performed by seven clinicians. The DR model was employed to explain variation in user performance and to characterize the relationship of resource distribution and ordering errors. The analysis revealed that the configuration of resources in this ordering application placed unnecessarily heavy cognitive demands on the user, especially on those who lacked a robust conceptual model of the system. The resources model also provided some insight into clinicians' interactive strategies and patterns of associated errors. Implications for user training and interface design based on the principles of human-computer interaction in the medical domain are discussed.

Hybrid CMS methods with model reduction for assembly of structures

NASA Technical Reports Server (NTRS)

Farhat, Charbel

1991-01-01

Future on-orbit structures will be designed and built in several stages, each with specific control requirements. Therefore there must be a methodology which can predict the dynamic characteristics of the assembled structure, based on the dynamic characteristics of the subassemblies and their interfaces. The methodology developed by CSC to address this issue is Hybrid Component Mode Synthesis (HCMS). HCMS distinguishes itself from standard component mode synthesis algorithms in the following features: (1) it does not require the subcomponents to have displacement compatible models, which makes it ideal for analyzing the deployment of heterogeneous flexible multibody systems, (2) it incorporates a second-level model reduction scheme at the interface, which makes it much faster than other algorithms and therefore suitable for control purposes, and (3) it does answer specific questions such as 'how does the global fundamental frequency vary if I change the physical parameters of substructure k by a specified amount?'. Because it is based on an energy principle rather than displacement compatibility, this methodology can also help the designer to define an assembly process. Current and future efforts are devoted to applying the HCMS method to design and analyze docking and berthing procedures in orbital construction.

Affinity of the interface between hydroxyapatite (0001) and titanium (0001) surfaces: a first-principles investigation.

PubMed

Sun, Jin P; Dai, Jianhong; Song, Yan; Wang, You; Yang, Rui

2014-12-10

A basic understanding of the affinity between the hydroxyapatite (HA) and α-Ti surfaces is obtained through electronic structure calculations by first-principles method. The surface energies of HA(0001), HA (011̅0), HA (101̅1), and Ti(0001) surfaces have been calculated. The HA(0001) presents the most thermodynamically stable of HA. The HA/Ti interfaces were constructed by two kinds of interface models, the single interface (denoted as SI) and the double-interface (denoted as DI). Two methods, the full relaxation and the UBER, were applied to determine the interfacial separation and the atomic arrangement in the interfacial zone. The works of adhesion of interfaces with various stoichiometric HA surfaces were evaluated. For the HA(0001)/Ti(0001) interfaces, the work of adhesion is strongly dependent on the chemical environment of the HA surface. The values are -2.33, -1.52, and -0.80 J/m(2) for the none-, single-, and double-Ca terminated HA/Ti interfaces, respectively. The influence of atomic relaxation on the work of adhesion and interface separation is discussed. Full relaxation results include -1.99 J/m(2) work of adhesion and 0.220 nm separation between HA and Ti for the DI of 1-Ca-HA/Ti interface, while they are -1.14 J/m(2) and 0.235 nm by partial relaxation. Analysis of electronic structure reveals that charge transfer between HA and Ti slabs occurs during the formation of the HA/Ti interface. The transfer generates the Ti-O or Ti-Ca bonds across the interface and drives the HA/Ti interface system to metallic characteristic. The energetically favorable interfaces are formed when the outmost layer of HA comprises more O atoms at the interface.

Three Principles of Water Flow in Soils

NASA Astrophysics Data System (ADS)

Guo, L.; Lin, H.

2016-12-01

Knowledge of water flow in soils is crucial to understanding terrestrial hydrological cycle, surface energy balance, biogeochemical dynamics, ecosystem services, contaminant transport, and many other Critical Zone processes. However, due to the complex and dynamic nature of non-uniform flow, reconstruction and prediction of water flow in natural soils remain challenging. This study synthesizes three principles of water flow in soils that can improve modeling water flow in soils of various complexity. The first principle, known as the Darcy's law, came to light in the 19th century and suggested a linear relationship between water flux density and hydraulic gradient, which was modified by Buckingham for unsaturated soils. Combining mass balance and the Buckingham-Darcy's law, L.A. Richards quantitatively described soil water change with space and time, i.e., Richards equation. The second principle was proposed by L.A. Richards in the 20th century, which described the minimum pressure potential needed to overcome surface tension of fluid and initiate water flow through soil-air interface. This study extends this principle to encompass soil hydrologic phenomena related to varied interfaces and microscopic features and provides a more cohesive explanation of hysteresis, hydrophobicity, and threshold behavior when water moves through layered soils. The third principle is emerging in the 21st century, which highlights the complex and evolving flow networks embedded in heterogeneous soils. This principle is summarized as: Water moves non-uniformly in natural soils with a dual-flow regime, i.e., it follows the least-resistant or preferred paths when "pushed" (e.g., by storms) or "attracted" (e.g., by plants) or "restricted" (e.g., by bedrock), but moves diffusively into the matrix when "relaxed" (e.g., at rest) or "touched" (e.g., adsorption). The first principle is a macroscopic view of steady-state water flow, the second principle is a microscopic view of interface-based dynamics of water flow, and the third principle combines macroscopic and microscopic consideration to explain a mosaic-like flow regime in soils. Integration of above principles can advance flow theory, measurement, and modeling and can improve management of soil and water resources.

First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries

DOE PAGES

Zhu, Yizhou; He, Xingfeng; Mo, Yifei

2015-12-11

All-solid-state Li-ion batteries based on ceramic solid electrolyte materials are a promising next-generation energy storage technology with high energy density and enhanced cycle life. The poor interfacial conductance is one of the key limitations in enabling all-solid-state Li-ion batteries. However, the origin of this poor conductance has not been understood, and there is limited knowledge about the solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries. In this paper, we performed first principles calculations to evaluate the thermodynamics of the interfaces between solid electrolyte and electrode materials and to identify the chemical and electrochemical stabilities of these interfaces. Our computation results revealmore » that many solid electrolyte–electrode interfaces have limited chemical and electrochemical stability, and that the formation of interphase layers is thermodynamically favorable at these interfaces. These formed interphase layers with different properties significantly affect the electrochemical performance of all-solid-state Li-ion batteries. The mechanisms of applying interfacial coating layers to stabilize the interface and to reduce interfacial resistance are illustrated by our computation. This study demonstrates a computational scheme to evaluate the chemical and electrochemical stability of heterogeneous solid interfaces. Finally, the enhanced understanding of the interfacial phenomena provides the strategies of interface engineering to improve performances of all-solid-state Li-ion batteries.« less

Biominerals- hierarchical nanocomposites: the example of bone

PubMed Central

Beniash, Elia

2010-01-01

Many organisms incorporate inorganic solids in their tissues to enhance their functional, primarily mechanical, properties. These mineralized tissues, also called biominerals, are unique organo-mineral nanocomposites, organized at several hierarchical levels, from nano- to macroscale. Unlike man made composite materials, which often are simple physical blends of their components, the organic and inorganic phases in biominerals interface at the molecular level. Although these tissues are made of relatively weak components at ambient conditions, their hierarchical structural organization and intimate interactions between different elements lead to superior mechanical properties. Understanding basic principles of formation, structure and functional properties of these tissues might lead to novel bioinspired strategies for material design and better treatments for diseases of the mineralized tissues. This review focuses on general principles of structural organization, formation and functional properties of biominerals on the example the bone tissues. PMID:20827739

Ocean Tracks: Investigating Marine Migrations in a Changing Ocean

NASA Astrophysics Data System (ADS)

Krumhansl, R.; Kochevar, R. E.; Aluwihare, L.; Bardar, E. W.; Hirsch, L.; Hoyle, C.; Krumhansl, K.; Louie, J.; Madura, J.; Mueller-Northcott, J.; Peach, C. L.; Trujillo, A.; Winney, B.; Zetterlind, V.; Busey, A.

2015-12-01

The availability of scientific data sets online opens up exciting new opportunities to raise students' understanding of the worlds' oceans and the potential impacts of climate change. The Oceans of Data Institute at EDC; Stanford University; and the Scripps Institution of Oceanography have been collaborating, with the support of three National Science Foundation grants over the past 5 years, to bring marine science data sets into high school and undergraduate classrooms. These efforts have culminated in the development of a web-based student interface to data from the Tagging of Pacific Predators (TOPP) program, NOAA's Global Drifter Program, and NASA Earth-orbiting satellites through a student-friendly Web interface, customized data analysis tools, multimedia supports, and course modules. Ocean Tracks (http://oceantracks.org), which incorporates design principles based on a broad range of research findings in fields such as cognitive science, visual design, mathematics education and learning science, focuses on optimizing students' opportunities to focus their cognitive resources on viewing and comparing data to test hypotheses, while minimizing the time spent on downloading, filtering and creating displays. Ocean Tracks allows students to display the tracks of elephant seals, white sharks, Bluefin tuna, albatross, and drifting buoys along with sea surface temperature, chlorophyll-A, bathymetry, ocean currents, and human impacts overlays. A graphing tool allows students to dynamically display parameters associated with the track such as speed, deepest daily dive and track tortuosity (curviness). These interface features allow students to engage in investigations that mirror those currently being conducted by scientists to understand the broad-scale effects of changes in climate and other human activities on ocean ecosystems. In addition to supporting the teaching of the Ocean and Climate Literacy principles, high school curriculum modules facilitate the teaching of content, practices and cross-cutting concepts in the Framework for K-12 Science Education. Undergraduate modules currently under development support the teaching of content related to marine productivity, ocean circulation and upwelling, animal-environment interactions, ocean ecosystems, and human impacts.

Integrating user centered design, universal design and goal, operation, method and selection rules to improve the usability of DAISY player for persons with visual impairments.

PubMed

Huang, Po-Hsin; Chiu, Ming-Chuan

2016-01-01

The Digital Accessible Information SYstem (DAISY) player is an assistive reading tool developed for use by persons with visual impairments. Certain problems have persisted in the operating procedure and interface of DAISY players, especially for their Chinese users. Therefore, the aim of this study was to redesign the DAISY player with increased usability features for use by native Chinese speakers. First, a User Centered Design (UCD) process was employed to analyze the development of the prototype. Next, operation procedures were reorganized according to GOMS (Goals, Operators, Methods, and Selection rules) methodology. Then the user interface was redesigned according to specific Universal Design (UD) principles. Following these revisions, an experiment involving four scenarios was conducted to compare the new prototype to other players, and it was tested by twelve visually impaired participants. Results indicate the prototype had the quickest operating times, the fewest number of operating errors, and the lowest mental workloads of all the compared players, significantly enhancing the prototype's usability. These findings have allowed us to generate suggestions for developing the next generation of DAISY players for people, especially for Chinese audience. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

De novo design of a transmembrane Zn²⁺-transporting four-helix bundle.

PubMed

Joh, Nathan H; Wang, Tuo; Bhate, Manasi P; Acharya, Rudresh; Wu, Yibing; Grabe, Michael; Hong, Mei; Grigoryan, Gevorg; DeGrado, William F

2014-12-19

The design of functional membrane proteins from first principles represents a grand challenge in chemistry and structural biology. Here, we report the design of a membrane-spanning, four-helical bundle that transports first-row transition metal ions Zn(2+) and Co(2+), but not Ca(2+), across membranes. The conduction path was designed to contain two di-metal binding sites that bind with negative cooperativity. X-ray crystallography and solid-state and solution nuclear magnetic resonance indicate that the overall helical bundle is formed from two tightly interacting pairs of helices, which form individual domains that interact weakly along a more dynamic interface. Vesicle flux experiments show that as Zn(2+) ions diffuse down their concentration gradients, protons are antiported. These experiments illustrate the feasibility of designing membrane proteins with predefined structural and dynamic properties. Copyright © 2014, American Association for the Advancement of Science.

Tissue engineering: state of the art in oral rehabilitation

PubMed Central

SCHELLER, E. L.; KREBSBACH, P. H.; KOHN, D. H.

2009-01-01

SUMMARY More than 85% of the global population requires repair or replacement of a craniofacial structure. These defects range from simple tooth decay to radical oncologic craniofacial resection. Regeneration of oral and craniofacial tissues presents a formidable challenge that requires synthesis of basic science, clinical science and engineering technology. Identification of appropriate scaffolds, cell sources and spatial and temporal signals (the tissue engineering triad) is necessary to optimize development of a single tissue, hybrid organ or interface. Furthermore, combining the understanding of the interactions between molecules of the extracellular matrix and attached cells with an understanding of the gene expression needed to induce differentiation and tissue growth will provide the design basis for translating basic science into rationally developed components of this tissue engineering triad. Dental tissue engineers are interested in regeneration of teeth, oral mucosa, salivary glands, bone and periodontium. Many of these oral structures are hybrid tissues. For example, engineering the periodontium requires growth of alveolar bone, cementum and the periodontal ligament. Recapitulation of biological development of hybrid tissues and interfaces presents a challenge that exceeds that of engineering just a single tissue. Advances made in dental interface engineering will allow these tissues to serve as model systems for engineering other tissues or organs of the body. This review will begin by covering basic tissue engineering principles and strategic design of functional biomaterials. We will then explore the impact of biomaterials design on the status of craniofacial tissue engineering and current challenges and opportunities in dental tissue engineering. PMID:19228277

Protein-Protein Docking in Drug Design and Discovery.

PubMed

Kaczor, Agnieszka A; Bartuzi, Damian; Stępniewski, Tomasz Maciej; Matosiuk, Dariusz; Selent, Jana

2018-01-01

Protein-protein interactions (PPIs) are responsible for a number of key physiological processes in the living cells and underlie the pathomechanism of many diseases. Nowadays, along with the concept of so-called "hot spots" in protein-protein interactions, which are well-defined interface regions responsible for most of the binding energy, these interfaces can be targeted with modulators. In order to apply structure-based design techniques to design PPIs modulators, a three-dimensional structure of protein complex has to be available. In this context in silico approaches, in particular protein-protein docking, are a valuable complement to experimental methods for elucidating 3D structure of protein complexes. Protein-protein docking is easy to use and does not require significant computer resources and time (in contrast to molecular dynamics) and it results in 3D structure of a protein complex (in contrast to sequence-based methods of predicting binding interfaces). However, protein-protein docking cannot address all the aspects of protein dynamics, in particular the global conformational changes during protein complex formation. In spite of this fact, protein-protein docking is widely used to model complexes of water-soluble proteins and less commonly to predict structures of transmembrane protein assemblies, including dimers and oligomers of G protein-coupled receptors (GPCRs). In this chapter we review the principles of protein-protein docking, available algorithms and software and discuss the recent examples, benefits, and drawbacks of protein-protein docking application to water-soluble proteins, membrane anchoring and transmembrane proteins, including GPCRs.

Tissue engineering: state of the art in oral rehabilitation.

PubMed

Scheller, E L; Krebsbach, P H; Kohn, D H

2009-05-01

More than 85% of the global population requires repair or replacement of a craniofacial structure. These defects range from simple tooth decay to radical oncologic craniofacial resection. Regeneration of oral and craniofacial tissues presents a formidable challenge that requires synthesis of basic science, clinical science and engineering technology. Identification of appropriate scaffolds, cell sources and spatial and temporal signals (the tissue engineering triad) is necessary to optimize development of a single tissue, hybrid organ or interface. Furthermore, combining the understanding of the interactions between molecules of the extracellular matrix and attached cells with an understanding of the gene expression needed to induce differentiation and tissue growth will provide the design basis for translating basic science into rationally developed components of this tissue engineering triad. Dental tissue engineers are interested in regeneration of teeth, oral mucosa, salivary glands, bone and periodontium. Many of these oral structures are hybrid tissues. For example, engineering the periodontium requires growth of alveolar bone, cementum and the periodontal ligament. Recapitulation of biological development of hybrid tissues and interfaces presents a challenge that exceeds that of engineering just a single tissue. Advances made in dental interface engineering will allow these tissues to serve as model systems for engineering other tissues or organs of the body. This review will begin by covering basic tissue engineering principles and strategic design of functional biomaterials. We will then explore the impact of biomaterials design on the status of craniofacial tissue engineering and current challenges and opportunities in dental tissue engineering.

Interface structure in Cu/Ta2O5/Pt resistance switch: a first-principles study.

PubMed

Xiao, Bo; Watanabe, Satoshi

2015-01-14

The interface structures of a Cu/Ta2O5/Pt resistance switch under various oxidation conditions have been examined from first-principles. The O-rich Cu/Ta2O5 interface is found to be stable within a wide range of O chemical potentials. In this interface structure, a considerable number of interface Cu atoms tend to migrate to the amorphous Ta2O5 (a-Ta2O5) layer, which causes the formation of the Cu2O layer. The interface Cu atoms become more ionized with an increase in the interface O concentration and/or temperature. These ionized Cu(+) ions could function as one of the main sources for the formation of conduction filaments in the Cu/a-Ta2O5/Pt resistance switch. In contrast, the ionization of the interface Cu atoms is not observed in the Cu/crystal-Ta2O5 interface primarily due to the much lower Cu ionic conductivity in crystal-Ta2O5 than that in amorphous state. In addition, the Pt electrode could not be ionized, irrespective of the interface O concentration and temperature. The formation of interface O vacancies in Pt/Ta2O5 is always energetically more stable than that in Cu/Ta2O5, which may be partly responsible for the cone shape of conduction filament formed in the Cu/a-Ta2O5/Pt resistance switch, where the base of the cone lies on the Pt/Ta2O5 interface.

Reduced interface spin polarization by antiferromagnetically coupled Mn segregated to the C o2MnSi /GaAs (001) interface

NASA Astrophysics Data System (ADS)

Rath, Ashutosh; Sivakumar, Chockalingam; Sun, C.; Patel, Sahil J.; Jeong, Jong Seok; Feng, J.; Stecklein, G.; Crowell, Paul A.; Palmstrøm, Chris J.; Butler, William H.; Voyles, Paul M.

2018-01-01

We have investigated the interfacial structure and its correlation with the calculated spin polarization in C o2MnSi /GaAs(001) lateral spin valves. C o2MnSi (CMS) films were grown on As-terminated c(4 ×4 ) GaAs(100) by molecular beam epitaxy using different first atomic layers: MnSi, Co, and Mn. Atomically resolved Z -contrast scanning transmission electron microscopy (STEM) imaging and electron energy loss spectroscopy (EELS) were used to develop atomic structural models of the CMS/GaAs interfaces that were used as inputs for first-principles calculations to understand the magnetic and electronic properties of the interface. First-principles structures were relaxed and then validated by comparing experimental and simulated high-resolution STEM images. STEM-EELS results show that all three films have similar six atomic layer thick, Mn- and As-rich multilayer interfaces. However, the Co-initiated interface contains a M n2As -like layer, which is antiferromagnetic, and which is not present in the other two interfaces. Density functional theory calculations show a higher degree of interface spin polarization in the Mn- and MnSi-initiated cases, compared to the Co-initiated case, although none of the interfaces are half-metallic. The loss of half-metallicity is attributed, at least in part, to the segregation of Mn at the interface, which leads to the formation of interface states. The implications for the performance of lateral spin valves based on these interfaces are discussed briefly.

First-principles study of the effects of Silicon doping on the Schottky barrier of TiSi2/Si interfaces

NASA Astrophysics Data System (ADS)

Wang, Han; Silva, Eduardo; West, Damien; Sun, Yiyang; Restrepo, Oscar; Zhang, Shengbai; Kota, Murali

As scaling of semiconductor devices is pursued in order to improve power efficiency, quantum effects due to the reduced dimensions on devices have become dominant factors in power, performance, and area scaling. In particular, source/drain contact resistance has become a limiting factor in the overall device power efficiency and performance. As a consequence, techniques such as heavy doping of source and drain have been explored to reduce the contact resistance, thereby shrinking the width of depletion region and lowering the Schottky barrier height. In this work, we study the relation between doping in Silicon and the Schottky barrier of a TiSi2/Si interface with first-principles calculation. Virtual Crystal Approximation (VCA) is used to calculate the average potential of the interface with varying doping concentration, while the I-V curve for the corresponding interface is calculated with a generalized one-dimensional transfer matrix method. The relation between substitutional and interstitial Boron and Phosphorus dopant near the interface, and their effect on tuning the Schottky barrier is studied. These studies provide insight to the type of doping and the effect of dopant segregation to optimize metal-semiconductor interface resistance.

First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clima, Sergiu, E-mail: clima@imec.be; Chen, Yang Yin; Goux, Ludovic

Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottommore » Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.« less

Large Scale Screening of Low Cost Ferritic Steel Designs For Advanced Ultra Supercritical Boiler Using First Principles Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ouyang, Lizhi

Advanced Ultra Supercritical Boiler (AUSC) requires materials that can operate in corrosive environment at temperature and pressure as high as 760°C (or 1400°F) and 5000psi, respectively, while at the same time maintain good ductility at low temperature. We develop automated simulation software tools to enable fast large scale screening studies of candidate designs. While direct evaluation of creep rupture strength and ductility are currently not feasible, properties such as energy, elastic constants, surface energy, interface energy, and stack fault energy can be used to assess their relative ductility and creeping strength. We implemented software to automate the complex calculations tomore » minimize human inputs in the tedious screening studies which involve model structures generation, settings for first principles calculations, results analysis and reporting. The software developed in the project and library of computed mechanical properties of phases found in ferritic steels, many are complex solid solutions estimated for the first time, will certainly help the development of low cost ferritic steel for AUSC.« less

Observation of rare-earth segregation in silicon nitride ceramics at subnanometre dimensions.

PubMed

Shibata, Naoya; Pennycook, Stephen J; Gosnell, Tim R; Painter, Gayle S; Shelton, William A; Becher, Paul F

2004-04-15

Silicon nitride (Si3N4) ceramics are used in numerous applications because of their superior mechanical properties. Their intrinsically brittle nature is a critical issue, but can be overcome by introducing whisker-like microstructural features. However, the formation of such anisotropic grains is very sensitive to the type of cations used as the sintering additives. Understanding the origin of dopant effects, central to the design of high-performance Si3N4 ceramics, has been sought for many years. Here we show direct images of dopant atoms (La) within the nanometre-scale intergranular amorphous films typically found at grain boundaries, using aberration corrected Z-contrast scanning transmission electron microscopy. It is clearly shown that the La atoms preferentially segregate to the amorphous/crystal interfaces. First-principles calculations confirm the strong preference of La for the crystalline surfaces, which is essential for forming elongated grains and a toughened microstructure. Whereas principles of micrometre-scale structural design are currently used to improve the mechanical properties of ceramics, this work represents a step towards the atomic-level structural engineering required for the next generation of ceramics.

Optics and optics-based technologies education with the benefit of LabVIEW

NASA Astrophysics Data System (ADS)

Wan, Yuhong; Man, Tianlong; Tao, Shiquan

2015-10-01

The details of design and implementation of incoherent digital holographic experiments based on LabVIEW are demonstrated in this work in order to offer a teaching modal by making full use of LabVIEW as an educational tool. Digital incoherent holography enables holograms to be recorded from incoherent light with just a digital camera and spatial light modulator and three-dimensional properties of the specimen are revealed after the hologram is reconstructed in the computer. The experiment of phase shifting incoherent digital holography is designed and implemented based on the principle of Fresnel incoherent correlation holography. An automatic control application is developed based on LabVIEW, which combines the functions of major experimental hardware control and digital reconstruction of the holograms. The basic functions of the system are completed and a user-friendly interface is provided for easy operation. The students are encouraged and stimulated to learn and practice the basic principle of incoherent digital holography and other related optics-based technologies during the programming of the application and implementation of the system.

CEPC-SPPC accelerator status towards CDR

NASA Astrophysics Data System (ADS)

Gao, J.

2017-12-01

In this paper we will give an introduction to the Circular Electron Positron Collider (CEPC). The scientific background, physics goal, the collider design requirements and the conceptual design principle of the CEPC are described. On the CEPC accelerator, the optimization of parameter designs for the CEPC with different energies, machine lengths, single ring and crab-waist collision partial double ring, advanced partial double ring and fully partial double ring options, etc. have been discussed systematically, and compared. The CEPC accelerator baseline and alternative designs have been proposed based on the luminosity potential in relation with the design goals. The CEPC sub-systems, such as the collider main ring, booster, electron positron injector, etc. have also been introduced. The detector and the MAchine-Detector Interface (MDI) design have been briefly mentioned. Finally, the optimization design of the Super Proton-Proton Collider (SppC), its energy and luminosity potentials, in the same tunnel of the CEPC are also discussed. The CEPC-SppC Progress Report (2015-2016) has been published.

Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys

PubMed Central

Choudhuri, D.; Banerjee, R.; Srinivasan, S. G.

2017-01-01

The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β1-Mg3Nd precipitates, that grow along 〈110〉Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces– {112}β1/{100}Mg and {111}β1/{110}Mg– that are commensurate with β1/hcp-Mg orientation relationship via first principles calculations. We find that β1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112}β1/{100}Mg interfaces, and predict that β1 grows along 〈110〉Mg on dislocation lines due to the migration of metastable {111}β1/{110}Mg. Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β1-like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces. PMID:28094302

Frog: The fast & realistic OpenGL event displayer

NASA Astrophysics Data System (ADS)

Quertenmont, Loïc

2010-04-01

FROG [1] [2] is a generic framework dedicated to visualisation of events in high energy physics experiment. It is suitable to any particular physics experiment or detector design. The code is light (< 3 MB) and fast (browsing time ~ 20 events per second for a large High Energy Physics experiment) and can run on various operating systems, as its object-oriented structure (C++) relies on the cross-platform OpenGL[3] and Glut [4] libraries. Moreover, Frog does not require installation of heavy third party libraries for the visualisation. This documents describes the features and principles of Frog version 1.106, its working scheme and numerous functionalities such as: 3D and 2D visualisation, graphical user interface, mouse interface, configuration files, production of pictures of various format, integration of personal objects, etc. Finally the application of FROG for physic experiment/environement, such as Gastof, CMS, ILD, Delphes will be presented for illustration.

An ultrasonic technique to measure the depth of burn wounds in humans

NASA Astrophysics Data System (ADS)

Yost, William T.; Cantrell, John H.; Hanna, Pamela D.

1991-06-01

Whenever ultrasound encounters discontinuity in its medium of propagation, some energy is reflected from the interface. Such reflections or echoes occur when incident energy encounters the front skin, viable/necrotic, and dermis/fat skin tissue interfaces. It was shown that the most probable cause of the viable/necrotic interface is the uncoiling of collagen in the necrotic tissue, which can cause a reflection at the viable/necrotic interface of approximately 10 percent of the wave amplitude, and is approximately the same as that from the other two interfaces noted. The instrument, still in the prototype stage, was designed to detect the various reflections from within the skin layer. It is shown that, by studying the timing between the various echoes, one can use ultrasound as an aid in diagnosing the depth of burned skin tissue in humans. The instrument is a 60-MHz A-scan unit, modified to more easily identify the echoes occurring within the short time interval during which the reflections are received from the skin layers. A high frequency unit was selected so that various transducers could be utilized to optimize the system. Signal conditioning circuits were modified and added to provide an adequate display of the principle reflections expected. The unit was successful in studying burned tissue in pigs and was recently used to study burn wounds in humans. Measurement techniques and preliminary results are presented.

Design principle for efficient charge separation at the donor-acceptor interface for high performance organic solar cell device

NASA Astrophysics Data System (ADS)

Nie, Wanyi; Gupta, Gautam; Crone, Brian; Wang, Hsing-Lin; Mohite, Aditya; MPA-11 Material synthesis and integrated device Team; MPA-chemistry Team

2014-03-01

The performance of donor (D) /acceptor (A) structure based organic electronic devices, such as solar cell, light emitting devices etc., relays on the charge transfer process at the interface dramatically. In organic solar cell, the photo-induced electron-hole pair is tightly bonded and will form a charge transfer (CT) state at the D/A interface after dissociation. There is a large chance for them to recombine through CT state and thus is a major loss that limit the overall performance. Here, we report three different strategies that allow us to completely suppress the exciplex (or charge transfer state) recombination between any D/A system. We observe that the photocurrent increases by 300% and the power conversion efficiency increases by 4-5 times simply by inserting a spacer layer in the form of an a) insulator b) Oliogomer or using a c) heavy atom at the donor-acceptor interface in a P3HT/C60 bilayer device. By using those different functional mono layers, we successfully suppressed the exciplex recombination in evidence of increased photocurrent and open circuit voltage. Moreover, these strategies are applicable universally to any donor-acceptor interface. And we demonstrated such strategies in a bulk-heterojunction device which improved the power conversion efficiency from 3.5% up to 4.6%.

An ultrasonic technique to measure the depth of burn wounds in humans

NASA Technical Reports Server (NTRS)

Yost, William T.; Cantrell, John H.; Hanna, Pamela D.

1991-01-01

Whenever ultrasound encounters discontinuity in its medium of propagation, some energy is reflected from the interface. Such reflections or echoes occur when incident energy encounters the front skin, viable/necrotic, and dermis/fat skin tissue interfaces. It was shown that the most probable cause of the viable/necrotic interface is the uncoiling of collagen in the necrotic tissue, which can cause a reflection at the viable/necrotic interface of approximately 10 percent of the wave amplitude, and is approximately the same as that from the other two interfaces noted. The instrument, still in the prototype stage, was designed to detect the various reflections from within the skin layer. It is shown that, by studying the timing between the various echoes, one can use ultrasound as an aid in diagnosing the depth of burned skin tissue in humans. The instrument is a 60-MHz A-scan unit, modified to more easily identify the echoes occurring within the short time interval during which the reflections are received from the skin layers. A high frequency unit was selected so that various transducers could be utilized to optimize the system. Signal conditioning circuits were modified and added to provide an adequate display of the principle reflections expected. The unit was successful in studying burned tissue in pigs and was recently used to study burn wounds in humans. Measurement techniques and preliminary results are presented.

Integrating Patient-Reported Outcomes into Spine Surgical Care through Visual Dashboards: Lessons Learned from Human-Centered Design

PubMed Central

Hartzler, Andrea L.; Chaudhuri, Shomir; Fey, Brett C.; Flum, David R.; Lavallee, Danielle

2015-01-01

Introduction: The collection of patient-reported outcomes (PROs) draws attention to issues of importance to patients—physical function and quality of life. The integration of PRO data into clinical decisions and discussions with patients requires thoughtful design of user-friendly interfaces that consider user experience and present data in personalized ways to enhance patient care. Whereas most prior work on PROs focuses on capturing data from patients, little research details how to design effective user interfaces that facilitate use of this data in clinical practice. We share lessons learned from engaging health care professionals to inform design of visual dashboards, an emerging type of health information technology (HIT). Methods: We employed human-centered design (HCD) methods to create visual displays of PROs to support patient care and quality improvement. HCD aims to optimize the design of interactive systems through iterative input from representative users who are likely to use the system in the future. Through three major steps, we engaged health care professionals in targeted, iterative design activities to inform the development of a PRO Dashboard that visually displays patient-reported pain and disability outcomes following spine surgery. Findings: Design activities to engage health care administrators, providers, and staff guided our work from design concept to specifications for dashboard implementation. Stakeholder feedback from these health care professionals shaped user interface design features, including predefined overviews that illustrate at-a-glance trends and quarterly snapshots, granular data filters that enable users to dive into detailed PRO analytics, and user-defined views to share and reuse. Feedback also revealed important considerations for quality indicators and privacy-preserving sharing and use of PROs. Conclusion: Our work illustrates a range of engagement methods guided by human-centered principles and design recommendations for optimizing PRO Dashboards for patient care and quality improvement. Engaging health care professionals as stakeholders is a critical step toward the design of user-friendly HIT that is accepted, usable, and has the potential to enhance quality of care and patient outcomes. PMID:25988187

Seating Considerations for Spaceflight: The Human to Machine Interface

NASA Technical Reports Server (NTRS)

Gohmert, Dustin M.

2011-01-01

Seating is one of the most critical components to be considered during design of a spacecraft. Since seats are the final interface between the occupant and the vehicle wherein all launch and landing operations are performed, significant effort must be spent to ensure proper integration of the human to the spacecraft. The importance of seating can be divided into two categories: seat layout and seat design. The layout of the seats drives the overall cabin configuration - from displays and controls, to windows, to stowage, to egress paths. Since the layout of the seats is such a critical design parameter within the crew compartment, it is one of the first design challenges that must be completed in the critical path of the spacecraft design. In consideration of seat layout in the vehicle, it is important for the designers to account for often intangible factors such as safety, operability, contingency performance, crew rescue. Seat layout will lead to definition of the quantity, shape, and posture of the seats. The seats of the craft must restrain and protect the occupant in all seated phases of flight, while allowing for nominal mission performance. In design of a spacecraft seat, the general posture of the occupant and the landing loads to be encountered are the greatest drivers of overall design. Variances, such as upright versus recumbent postures will dictate fit of the seat to the occupant and drive the total envelope of the seat around the occupant. Seat design revolves around applying sound principles of seated occupant protection coupled with the unique environments driven by the seat layout, landing loads, and operational and emergency scenarios.

First principles pseudopotential calculation of electron energy loss near edge structures of lattice imperfections.

PubMed

Mizoguchi, Teruyasu; Matsunaga, Katsuyuki; Tochigi, Eita; Ikuhara, Yuichi

2012-01-01

Theoretical calculations of electron energy loss near edge structures (ELNES) of lattice imperfections, particularly a Ni(111)/ZrO₂(111) heterointerface and an Al₂O₃ stacking fault on the {1100} plane, are performed using a first principles pseudopotential method. The present calculation can qualitatively reproduce spectral features as well as chemical shifts in experiment by employing a special pseudopotential designed for the excited atom with a core-hole. From the calculation, spectral changes observed in O-K ELNES from a Ni/ZrO₂ interface can be attributable to interfacial oxygen-Ni interactions. In the O-K ELNES of Al₂O₃ stacking faults, theoretical calculation suggests that the spectral feature reflects coordination environment and chemical bonding. Powerful combinations of ELNES with a pseudopotential method used to investigate the atomic and electronic structures of lattice imperfections are demonstrated. Copyright © 2011 Elsevier Ltd. All rights reserved.

Eight river principles for navigating the science–policy interface

EPA Science Inventory

Scientists and policymakers often work together to develop policy about the sustainable use of river ecosystems. River science plays an important role in developing river policy but how can key aspects of river science be conveyed as a heuristic to navigate the interface between ...

A software architecture for automating operations processes

NASA Technical Reports Server (NTRS)

Miller, Kevin J.

1994-01-01

The Operations Engineering Lab (OEL) at JPL has developed a software architecture based on an integrated toolkit approach for simplifying and automating mission operations tasks. The toolkit approach is based on building adaptable, reusable graphical tools that are integrated through a combination of libraries, scripts, and system-level user interface shells. The graphical interface shells are designed to integrate and visually guide a user through the complex steps in an operations process. They provide a user with an integrated system-level picture of an overall process, defining the required inputs and possible output through interactive on-screen graphics. The OEL has developed the software for building these process-oriented graphical user interface (GUI) shells. The OEL Shell development system (OEL Shell) is an extension of JPL's Widget Creation Library (WCL). The OEL Shell system can be used to easily build user interfaces for running complex processes, applications with extensive command-line interfaces, and tool-integration tasks. The interface shells display a logical process flow using arrows and box graphics. They also allow a user to select which output products are desired and which input sources are needed, eliminating the need to know which program and its associated command-line parameters must be executed in each case. The shells have also proved valuable for use as operations training tools because of the OEL Shell hypertext help environment. The OEL toolkit approach is guided by several principles, including the use of ASCII text file interfaces with a multimission format, Perl scripts for mission-specific adaptation code, and programs that include a simple command-line interface for batch mode processing. Projects can adapt the interface shells by simple changes to the resources configuration file. This approach has allowed the development of sophisticated, automated software systems that are easy, cheap, and fast to build. This paper will discuss our toolkit approach and the OEL Shell interface builder in the context of a real operations process example. The paper will discuss the design and implementation of a Ulysses toolkit for generating the mission sequence of events. The Sequence of Events Generation (SEG) system provides an adaptable multimission toolkit for producing a time-ordered listing and timeline display of spacecraft commands, state changes, and required ground activities.

Tunneling anisotropic magnetoresistance driven by resonant surface states: first-principles calculations on an Fe(001) surface.

PubMed

Chantis, Athanasios N; Belashchenko, Kirill D; Tsymbal, Evgeny Y; van Schilfgaarde, Mark

2007-01-26

Fully relativistic first-principles calculations of the Fe(001) surface demonstrate that resonant surface (interface) states may produce sizable tunneling anisotropic magnetoresistance in magnetic tunnel junctions with a single magnetic electrode. The effect is driven by the spin-orbit coupling. It shifts the resonant surface band via the Rashba effect when the magnetization direction changes. We find that spin-flip scattering at the interface is controlled not only by the strength of the spin-orbit coupling, but depends strongly on the intrinsic width of the resonant surface states.

Crystal structure of triosephosphate isomerase from Trypanosoma cruzi in hexane

PubMed Central

Gao, Xiu-Gong; Maldonado, Ernesto; Pérez-Montfort, Ruy; Garza-Ramos, Georgina; de Gómez-Puyou, Marietta Tuena; Gómez-Puyou, Armando; Rodríguez-Romero, Adela

1999-01-01

To gain insight into the mechanisms of enzyme catalysis in organic solvents, the x-ray structure of some monomeric enzymes in organic solvents was determined. However, it remained to be explored whether the structure of oligomeric proteins is also amenable to such analysis. The field acquired new perspectives when it was proposed that the x-ray structure of enzymes in nonaqueous media could reveal binding sites for organic solvents that in principle could represent the starting point for drug design. Here, a crystal of the dimeric enzyme triosephosphate isomerase from the pathogenic parasite Trypanosoma cruzi was soaked and diffracted in hexane and its structure solved at 2-Å resolution. Its overall structure and the dimer interface were not altered by hexane. However, there were differences in the orientation of the side chains of several amino acids, including that of the catalytic Glu-168 in one of the monomers. No hexane molecules were detected in the active site or in the dimer interface. However, three hexane molecules were identified on the surface of the protein at sites, which in the native crystal did not have water molecules. The number of water molecules in the hexane structure was higher than in the native crystal. Two hexanes localized at <4 Å from residues that form the dimer interface; they were in close proximity to a site that has been considered a potential target for drug design. PMID:10468562

Crystal structure of triosephosphate isomerase from Trypanosoma cruzi in hexane.

PubMed

Gao, X G; Maldonado, E; Pérez-Montfort, R; Garza-Ramos, G; de Gómez-Puyou, M T; Gómez-Puyou, A; Rodríguez-Romero, A

1999-08-31

To gain insight into the mechanisms of enzyme catalysis in organic solvents, the x-ray structure of some monomeric enzymes in organic solvents was determined. However, it remained to be explored whether the structure of oligomeric proteins is also amenable to such analysis. The field acquired new perspectives when it was proposed that the x-ray structure of enzymes in nonaqueous media could reveal binding sites for organic solvents that in principle could represent the starting point for drug design. Here, a crystal of the dimeric enzyme triosephosphate isomerase from the pathogenic parasite Trypanosoma cruzi was soaked and diffracted in hexane and its structure solved at 2-A resolution. Its overall structure and the dimer interface were not altered by hexane. However, there were differences in the orientation of the side chains of several amino acids, including that of the catalytic Glu-168 in one of the monomers. No hexane molecules were detected in the active site or in the dimer interface. However, three hexane molecules were identified on the surface of the protein at sites, which in the native crystal did not have water molecules. The number of water molecules in the hexane structure was higher than in the native crystal. Two hexanes localized at <4 A from residues that form the dimer interface; they were in close proximity to a site that has been considered a potential target for drug design.

Structural modifications due to interface chemistry at metal-nitride interfaces

DOE PAGES

Yadav, S. K.; Shao, S.; Wang, J.; ...

2015-11-27

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energiesmore » of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

PubMed Central

Yadav, S. K.; Shao, S.; Wang, J.; Liu, X.-Y.

2015-01-01

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces. PMID:26611639

Systems Maturity Assessment of the Lithium Ion Battery for Extravehicular Mobility Unit Project

NASA Technical Reports Server (NTRS)

Russell, Samuel P.

2011-01-01

The Long Life (Lithium Ion) Battery (LLB/LIB) is designed to replace the current Extravehicular Mobility Unit (EMU) Silver/Zinc (Ag/Zn) Increased Capacity Battery (ICB), which is used to provide power to the Primary Life Support Subsystem (PLSS) during Extravehicular Activities (EVAs). The LLB (a battery based on commercial lithium ion cell technology) is designed to have the same electrical and mechanical interfaces as the current ICB. The EMU LIB Charger is designed to charge, discharge, and condition the LLB either in a charger-strapped configuration or in an EMU-mounted configuration. This paper will retroactively apply the principles of Systems Maturity Assessment to the LLB project through use of the Integration Readiness Level and Earned Readiness Management. The viability of this methodology will be considered for application to new and existing technology development projects.

Tunable Schottky barrier in van der Waals heterostructures of graphene and g-GaN

NASA Astrophysics Data System (ADS)

Sun, Minglei; Chou, Jyh-Pin; Ren, Qingqiang; Zhao, Yiming; Yu, Jin; Tang, Wencheng

2017-04-01

Using first-principles calculations, we systematically investigated the electronic properties of graphene/g-GaN van der Waals (vdW) heterostructures. We discovered that the Dirac cone of graphene could be quite well preserved in the vdW heterostructures. Moreover, a transition from an n-type to p-type Schottky contact at the graphene/g-GaN interface was induced with a decreased interlayer distance from 4.5 to 2.5 Å. This relationship is expected to enable effective control of the Schottky barrier, which is an important development in the design of Schottky devices.

Water/alcohol soluble conjugated polymers as highly efficient electron transporting/injection layer in optoelectronic devices.

PubMed

Huang, Fei; Wu, Hongbin; Cao, Yong

2010-07-01

Water/alcohol soluble conjugated polymers (WSCPs) can be processed from water or other polar solvents, which offer good opportunities to avoid interfacial mixing upon fabrication of multilayer polymer optoelectronic devices by solution processing, and can dramatically improve charge injection from high work-function metal cathode resulting in greatly enhancement of the device performance. In this critical review, the authors provide a brief review of recent developments in this field, including the materials design, functional principles, and their unique applications as interface modification layer in solution-processable multilayer optoelectronic devices (135 references).

Electrostatic design of protein-protein association rates.

PubMed

Schreiber, Gideon; Shaul, Yossi; Gottschalk, Kay E

2006-01-01

De novo design and redesign of proteins and protein complexes have made promising progress in recent years. Here, we give an overview of how to use available computer-based tools to design proteins to bind faster and tighter to their protein-complex partner by electrostatic optimization between the two proteins. Electrostatic optimization is possible because of the simple relation between the Debye-Huckel energy of interaction between a pair of proteins and their rate of association. This can be used for rapid, structure-based calculations of the electrostatic attraction between the two proteins in the complex. Using these principles, we developed two computer programs that predict the change in k(on), and as such the affinity, on introducing charged mutations. The two programs have a web interface that is available at www.weizmann.ac.il/home/bcges/PARE.html and http://bip.weizmann.ac.il/hypare. When mutations leading to charge optimization are introduced outside the physical binding site, the rate of dissociation is unchanged and therefore the change in k(on) parallels that of the affinity. This design method was evaluated on a number of different protein complexes resulting in binding rates and affinities of hundreds of fold faster and tighter compared to wild type. In this chapter, we demonstrate the procedure and go step by step over the methodology of using these programs for protein-association design. Finally, the way to easily implement the principle of electrostatic design for any protein complex of choice is shown.

The development of a highly constrained health level 7 implementation guide to facilitate electronic laboratory reporting to ambulatory electronic health record systems.

PubMed

Sujansky, Walter V; Overhage, J Marc; Chang, Sophia; Frohlich, Jonah; Faus, Samuel A

2009-01-01

Electronic laboratory interfaces can significantly increase the value of ambulatory electronic health record (EHR) systems by providing laboratory result data automatically and in a computable form. However, many ambulatory EHRs cannot implement electronic laboratory interfaces despite the existence of messaging standards, such as Health Level 7, version 2 (HL7). Among several barriers to implementing laboratory interfaces is the extensive optionality within the HL7 message standard. This paper describes the rationale for and development of an HL7 implementation guide that seeks to eliminate most of the optionality inherent in HL7, but retain the information content required for reporting outpatient laboratory results. A work group of heterogeneous stakeholders developed the implementation guide based on a set of design principles that emphasized parsimony, practical requirements, and near-term adoption. The resulting implementation guide contains 93% fewer optional data elements than HL7. This guide was successfully implemented by 15 organizations during an initial testing phase and has been approved by the HL7 standards body as an implementation guide for outpatient laboratory reporting. Further testing is required to determine whether widespread adoption of the implementation guide by laboratories and EHR systems can facilitate the implementation of electronic laboratory interfaces.

Modeling the Charge Transport in Graphene Nano Ribbon Interfaces for Nano Scale Electronic Devices

NASA Astrophysics Data System (ADS)

Kumar, Ravinder; Engles, Derick

2015-05-01

In this research work we have modeled, simulated and compared the electronic charge transport for Metal-Semiconductor-Metal interfaces of Graphene Nano Ribbons (GNR) with different geometries using First-Principle calculations and Non-Equilibrium Green's Function (NEGF) method. We modeled junctions of Armchair GNR strip sandwiched between two Zigzag strips with (Z-A-Z) and Zigzag GNR strip sandwiched between two Armchair strips with (A-Z-A) using semi-empirical Extended Huckle Theory (EHT) within the framework of Non-Equilibrium Green Function (NEGF). I-V characteristics of the interfaces were visualized for various transport parameters. The distinct changes in conductance and I-V curves reported as the Width across layers, Channel length (Central part) was varied at different bias voltages from -1V to 1 V with steps of 0.25 V. From the simulated results we observed that the conductance through A-Z-A graphene junction is in the range of 10-13 Siemens whereas the conductance through Z-A-Z graphene junction is in the range of 10-5 Siemens. These suggested conductance controlled mechanisms for the charge transport in the graphene interfaces with different geometries is important for the design of graphene based nano scale electronic devices like Graphene FETs, Sensors.

Designing to Control Flight Crew Errors

NASA Technical Reports Server (NTRS)

Schutte, Paul C.; Willshire, Kelli F.

1997-01-01

It is widely accepted that human error is a major contributing factor in aircraft accidents. There has been a significant amount of research in why these errors occurred, and many reports state that the design of flight deck can actually dispose humans to err. This research has led to the call for changes in design according to human factors and human-centered principles. The National Aeronautics and Space Administration's (NASA) Langley Research Center has initiated an effort to design a human-centered flight deck from a clean slate (i.e., without constraints of existing designs.) The effort will be based on recent research in human-centered design philosophy and mission management categories. This design will match the human's model of the mission and function of the aircraft to reduce unnatural or non-intuitive interfaces. The product of this effort will be a flight deck design description, including training and procedures, and a cross reference or paper trail back to design hypotheses, and an evaluation of the design. The present paper will discuss the philosophy, process, and status of this design effort.

Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysis.

PubMed

Singh, Anjali; Waghmare, Umesh V

2014-10-21

The structure of grain boundaries (GBs) or interfaces between nano-forms of carbon determines their evolution into 3-D forms with nano-scale architecture. Here, we present a general framework for the construction of interfaces in 2-D h-BN and graphene in terms of (a) stacking faults and (b) growth faults, using first-principles density functional theoretical analysis. Such interfaces or GBs involve deviation from their ideal hexagonal lattice structure. We show that a stacking fault involves a linkage of rhombal and octagonal rings (4 : 8), and a growth fault involves a linkage of paired pentagonal and octagonal rings (5 : 5 : 8). While a growth fault is energetically more stable than a stacking fault in graphene, the polarity of B and N leads to the reversal of their relative stability in h-BN. We show that the planar structure of these interfacing grains exhibits instability with respect to buckling (out-of-plane deformation), which results in the formation of a wrinkle at the grain boundary (GB) and rippling of the structure. Our analysis leads to prediction of new types of low-energy GBs of 2-D h-BN and graphene. Our results for electronic and vibrational signatures of these interfaces and an STM image of the most stable interface will facilitate their experimental characterization, particularly of the wrinkles forming spontaneously at these interfaces.

First principles study of α2-Ti3Al(0 0 0 1) surface and γ-TiAl(1 1 1)/α2-Ti3Al(0 0 0 1) interfaces

NASA Astrophysics Data System (ADS)

Wang, Lu; Shang, Jia-Xiang; Wang, Fu-He; Zhang, Yue

2013-07-01

The α2-Ti3Al(0 0 0 1) surface and γ-TiAl(1 1 1)/α2-Ti3Al(0 0 0 1) interfaces with six orientation relationships are studied by using the first-principle density functional theory. The calculated results indicate that the Ti3Al(0 0 0 1) surface has a higher surface energy (1.964 J/m2) and larger surface relaxations, compared with the γ-TiAl(1 1 1) surface. For the γ-TiAl(1 1 1)/α2-Ti3Al(0 0 0 1) interface structures, the work of separation along Ti3Al(0 0 0 1) cleavage plane is larger than that along TiAl(1 1 1) plane. In the interface region, the bonding strengths between Ti3Al layers and between TiAl layers are smaller than those along Ti3Al(0 0 0 1) plane and TiAl(1 1 1) plane in the bulk materials, respectively. The heterogeneous interface would be the weak link in the material, and the bonding strength of interface depends on the weaker one of the two phases. The bonding characteristics of interface are analyzed by the electron local function.

Optical design of free face reflective headlamps

NASA Astrophysics Data System (ADS)

Cen, Zhao Feng; Li, Xiao Tong; Deng, Shi Tao

2005-02-01

Headlamps are installed at the head of automobiles for road lighting. About the illumination and anti-dazzle, some standards such as the standard of ECE are established. Now more and more free face reflective headlamps (FFR headlamps) are applied, and the light distribution design of FFR mirror becomes an important subject in the field of automobile assembling part. In this paper the surface shape of FFR headlamps is analyzed and described as a multi-partition aspherical surface with some simple parameters. According to the fundamental principles of geometrical optics and using the theory of ray transmission with energy, millions of real rays emitted from lower beam filament and high beam filament are traced and the relative intensity of illumination at the test screen with distance of 25m from the automobiles is obtained. In this paper the description of FFR mirrors is discussed, the algorithm of FFR headlamp design is presented, the flow chart is given and the light distribution simulation software with friendly interfaces is developed. In the light distribution graphic interface of the software, the illumination area could be dragged to a certain position while the parameters of current partition at the FFR mirror will be automatically changed. Using this software the FFR headlamps satisfying criteria will be designed very quickly and the 3D coordinates of any points at the mirror will be obtained. This makes CAM of FFR headlamps easy.

Data Capture and Analysis Using the BBC Microcomputer--an Interfacing Project Applied to Enzyme Kinetics.

ERIC Educational Resources Information Center

Jones, Lawrence; Graham, Ian

1986-01-01

Reviews the main principles of interfacing and discusses the software developed to perform kinetic data capture and analysis with a BBC microcomputer linked to a recording spectrophotometer. Focuses on the steps in software development. Includes results of a lactate dehydrogenase assay. (ML)

Reciprocal and Scholarly Service Learning: Emergent Theoretical Understandings of the University-Community Interface in South Africa

ERIC Educational Resources Information Center

Smith-Tolken, Antoinette; Bitzer, Eli

2017-01-01

This study addresses underlying principles to interpret scholarly-based service-related teaching and learning. Such principles include addressing specific concerns of communities, transforming theoretical knowledge into lived experiences for students, making the knowledge generated within communities meaningful and forging constant growth and…

Efficient neuroplasticity induction in chronic stroke patients by an associative brain-computer interface.

PubMed

Mrachacz-Kersting, Natalie; Jiang, Ning; Stevenson, Andrew James Thomas; Niazi, Imran Khan; Kostic, Vladimir; Pavlovic, Aleksandra; Radovanovic, Sasa; Djuric-Jovicic, Milica; Agosta, Federica; Dremstrup, Kim; Farina, Dario

2016-03-01

Brain-computer interfaces (BCIs) have the potential to improve functionality in chronic stoke patients when applied over a large number of sessions. Here we evaluated the effect and the underlying mechanisms of three BCI training sessions in a double-blind sham-controlled design. The applied BCI is based on Hebbian principles of associativity that hypothesize that neural assemblies activated in a correlated manner will strengthen synaptic connections. Twenty-two chronic stroke patients were divided into two training groups. Movement-related cortical potentials (MRCPs) were detected by electroencephalography during repetitions of foot dorsiflexion. Detection triggered a single electrical stimulation of the common peroneal nerve timed so that the resulting afferent volley arrived at the peak negative phase of the MRCP (BCIassociative group) or randomly (BCInonassociative group). Fugl-Meyer motor assessment (FM), 10-m walking speed, foot and hand tapping frequency, diffusion tensor imaging (DTI) data, and the excitability of the corticospinal tract to the target muscle [tibialis anterior (TA)] were quantified. The TA motor evoked potential (MEP) increased significantly after the BCIassociative intervention, but not for the BCInonassociative group. FM scores (0.8 ± 0.46 point difference, P = 0.01), foot (but not finger) tapping frequency, and 10-m walking speed improved significantly for the BCIassociative group, indicating clinically relevant improvements. Corticospinal tract integrity on DTI did not correlate with clinical or physiological changes. For the BCI as applied here, the precise coupling between the brain command and the afferent signal was imperative for the behavioral, clinical, and neurophysiological changes reported. This association may become the driving principle for the design of BCI rehabilitation in the future. Indeed, no available BCIs can match this degree of functional improvement with such a short intervention. Copyright © 2016 the American Physiological Society.

Efficient neuroplasticity induction in chronic stroke patients by an associative brain-computer interface

PubMed Central

Stevenson, Andrew James Thomas; Kostic, Vladimir; Pavlovic, Aleksandra; Radovanovic, Sasa; Djuric-Jovicic, Milica; Agosta, Federica; Dremstrup, Kim; Farina, Dario

2015-01-01

Brain-computer interfaces (BCIs) have the potential to improve functionality in chronic stoke patients when applied over a large number of sessions. Here we evaluated the effect and the underlying mechanisms of three BCI training sessions in a double-blind sham-controlled design. The applied BCI is based on Hebbian principles of associativity that hypothesize that neural assemblies activated in a correlated manner will strengthen synaptic connections. Twenty-two chronic stroke patients were divided into two training groups. Movement-related cortical potentials (MRCPs) were detected by electroencephalography during repetitions of foot dorsiflexion. Detection triggered a single electrical stimulation of the common peroneal nerve timed so that the resulting afferent volley arrived at the peak negative phase of the MRCP (BCIassociative group) or randomly (BCInonassociative group). Fugl-Meyer motor assessment (FM), 10-m walking speed, foot and hand tapping frequency, diffusion tensor imaging (DTI) data, and the excitability of the corticospinal tract to the target muscle [tibialis anterior (TA)] were quantified. The TA motor evoked potential (MEP) increased significantly after the BCIassociative intervention, but not for the BCInonassociative group. FM scores (0.8 ± 0.46 point difference, P = 0.01), foot (but not finger) tapping frequency, and 10-m walking speed improved significantly for the BCIassociative group, indicating clinically relevant improvements. Corticospinal tract integrity on DTI did not correlate with clinical or physiological changes. For the BCI as applied here, the precise coupling between the brain command and the afferent signal was imperative for the behavioral, clinical, and neurophysiological changes reported. This association may become the driving principle for the design of BCI rehabilitation in the future. Indeed, no available BCIs can match this degree of functional improvement with such a short intervention. PMID:26719088

First-principles study of Ti intercalation between graphene and Au surface

NASA Astrophysics Data System (ADS)

Kaneko, T.; Imamura, H.

2011-06-01

We investigate the effects of Ti intercalation between graphene and Au surface on binding energy and charge doping by using the first-principles calculations. We show that the largest binding energy is realized by the intercalation of single mono-layer of Ti. We also show that electronic structure is very sensitive to the arrangement of metal atoms at the interface. If the composition of the interface layer is Ti0.33Au0.67 and the Ti is located at the top site, the Fermi level lies closely at the Dirac point, i.e., the Dirac cone of the ideal free-standing graphene is recovered.

SU-D-BRF-05: A Novel System to Provide Real-Time Image-Guidance for Intrauterine Tandem Insertion and Placement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Price, M; Fontenot, J

Purpose: To develop a system that provides real-time image-guidance for intrauterine tandem insertion and placement for brachytherapy. Methods: The conceptualized system consists of an intrauterine tandem with a transparent, lensed tip, a flexible miniature fiber optic scope, light source and interface for CCD coupling. The tandem tip was designed to act as a lens providing a wide field-of-view (FOV) with minimal image distortion and focus length appropriate for the application. The system is designed so that once inserted, the image-guidance component of the system can be removed and brachytherapy can be administered without interfering with source transport or disturbing tandemmore » placement. Proof-of-principle studies were conducted to assess the conceptualized system's (1) lens functionality (clarity, focus and FOV) (2) and ability to visualize the cervical os of a female placed in the lithotomy position. Results: A prototype of this device was constructed using a commercial tandem modified to incorporate a transparent tip that internally coupled with a 1.9mm diameter fiber optic cable. The 900mm-long cable terminated at an interface that provided illumination as well as facilitated visualization of patient anatomy on a computer. The system provided a 23mm FOV with a focal length of 1cm and provided clear visualization of the cervix, cervical fornix and cervical os. The optical components of the system are easily removed without perturbing the position of a tandem placed in a common fixation clamp. Conclusion: Clinicians frequently encounter difficulty inserting an intrauterine tandem through the cervical os, circumventing fibrotic tissue or masses within the uterus, and positioning the tandem without perforating the uterus. To mitigate these challenges, we have designed and conducted proof-of- principle studies to discern the utility of a prototype device that provides real-time image-guidance for intrauterine tandem placement using fiber optic components.« less

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

DOE PAGES

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; ...

2015-03-11

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

First-principles investigation of band offsets and dielectric properties of Silicon-Silicon Nitride interfaces

NASA Astrophysics Data System (ADS)

Pham, Tuan Anh; Li, Tianshu; Gygi, Francois; Galli, Giulia

2011-03-01

Silicon Nitride (Si3N4) is a possible candidate material to replace or be alloyed with SiO2 to form high-K dielectric films on Si substrates, so as to help prevent leakage currents in modern CMOS transistors. Building on our previous work on dielectric properties of crystalline and amorphous Si3N4 slabs, we present an analysis of the band offsets and dielectric properties of crystalline-Si/amorphous Si3N4 interfaces based on first principles calculations. We discuss shortcomings of the conventional bulk-plus line up approach in band offset calculations for systems with an amorphous component, and we present the results of band offsets obtained from calculations of local density of states. Finally, we describe the role of bonding configurations in determining band edges and dielectric constants at the interface. We acknowledge financial support from Intel Corporation.

First-principles study on the effect of SiO{sub 2} layers during oxidation of 4H-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ono, Tomoya, E-mail: ono@ccs.tsukuba.ac.jp; JST-PRESTO, Kawaguchi, Saitama 332-0012; Saito, Shoichiro

The effect of SiO{sub 2} layers during the thermal oxidation of a 4H-SiC(0001) substrate is examined by performing the first-principles total-energy calculations. Although it is expected that a CO molecule is the most preferable product during the oxidation, CO{sub 2} molecules are mainly emitted from the SiC surface at the initial stage of the oxidation. As the oxidation proceeds, CO{sub 2} emission becomes less favorable and CO molecules are emitted from the interface. We conclude that the interface stress due to the lattice constant mismatch between 4H-SiC(0001) and SiO{sub 2} is responsible for the removal of C during the oxidation,more » resulting in the characteristic electronic property of the interface fabricated by the thermal oxidation.« less

Seating Considerations for Spaceflight: The Human to Machine Interface

NASA Astrophysics Data System (ADS)

Gohmert, D. M.

2012-01-01

Seating is one of the most critical components to be considered during design of a spacecraft. Since seats are the final interface between the occupant and the vehicle wherein all launch and landing operations are performed, significant effort must be spent to ensure proper integration of the human to the spacecraft. The importance of seating can be divided into two categories: seat layout and seat design. The layout of the seats drives the overall cabin configuration - from displays and controls, to windows, to stowage, to egress paths. Since the layout of the seats is such a critical design parameter within the crew compartment, it is one of the first design challenges that must be completed in the critical path of the spacecraft design. In consideration of seat layout in the vehicle, it is important for the designers to account for often intangible factors such as safety, operability, contingency performance, and crew rescue. Seat layout will lead to definition of the quantity, shape, and posture of the seats. The seats of the craft must restrain and protect the occupant in all seated phases of flight, while allowing for nominal mission performance. In design of a spacecraft seat, the general posture of the occupant and the landing loads to be encountered are the greatest drivers of overall design. Variances, such as upright versus recumbent postures will dictate fit of the seat to the occupant and drive the total envelope of the seat around the occupant. Seat design revolves around applying sound principles of seated occupant protection coupled with the unique environments driven by the seat layout, landing loads, and operational and emergency scenarios.

Design of exceptionally strong and conductive Cu alloys beyond the conventional speculation via the interfacial energy-controlled dispersion of γ-Al2O3 nanoparticles

PubMed Central

Zeon Han, Seung; Kim, Kwang Ho; Kang, Joonhee; Joh, Hongrae; Kim, Sang Min; Ahn, Jee Hyuk; Lee, Jehyun; Lim, Sung Hwan; Han, Byungchan

2015-01-01

The development of Cu-based alloys with high-mechanical properties (strength, ductility) and electrical conductivity plays a key role over a wide range of industrial applications. Successful design of the materials, however, has been rare due to the improvement of mutually exclusive properties as conventionally speculated. In this paper, we demonstrate that these contradictory material properties can be improved simultaneously if the interfacial energies of heterogeneous interfaces are carefully controlled. We uniformly disperse γ-Al2O3 nanoparticles over Cu matrix, and then we controlled atomic level morphology of the interface γ-Al2O3//Cu by adding Ti solutes. It is shown that the Ti dramatically drives the interfacial phase transformation from very irregular to homogeneous spherical morphologies resulting in substantial enhancement of the mechanical property of Cu matrix. Furthermore, the Ti removes impurities (O and Al) in the Cu matrix by forming oxides leading to recovery of the electrical conductivity of pure Cu. We validate experimental results using TEM and EDX combined with first-principles density functional theory (DFT) calculations, which all consistently poise that our materials are suitable for industrial applications. PMID:26616045

Design of exceptionally strong and conductive Cu alloys beyond the conventional speculation via the interfacial energy-controlled dispersion of γ-Al2O3 nanoparticles.

PubMed

Han, Seung Zeon; Kim, Kwang Ho; Kang, Joonhee; Joh, Hongrae; Kim, Sang Min; Ahn, Jee Hyuk; Lee, Jehyun; Lim, Sung Hwan; Han, Byungchan

2015-11-30

The development of Cu-based alloys with high-mechanical properties (strength, ductility) and electrical conductivity plays a key role over a wide range of industrial applications. Successful design of the materials, however, has been rare due to the improvement of mutually exclusive properties as conventionally speculated. In this paper, we demonstrate that these contradictory material properties can be improved simultaneously if the interfacial energies of heterogeneous interfaces are carefully controlled. We uniformly disperse γ-Al2O3 nanoparticles over Cu matrix, and then we controlled atomic level morphology of the interface γ-Al2O3//Cu by adding Ti solutes. It is shown that the Ti dramatically drives the interfacial phase transformation from very irregular to homogeneous spherical morphologies resulting in substantial enhancement of the mechanical property of Cu matrix. Furthermore, the Ti removes impurities (O and Al) in the Cu matrix by forming oxides leading to recovery of the electrical conductivity of pure Cu. We validate experimental results using TEM and EDX combined with first-principles density functional theory (DFT) calculations, which all consistently poise that our materials are suitable for industrial applications.

Patient-Centered Tools for Medication Information Search

PubMed Central

Wilcox, Lauren; Feiner, Steven; Elhadad, Noémie; Vawdrey, David; Tran, Tran H.

2016-01-01

Recent research focused on online health information seeking highlights a heavy reliance on general-purpose search engines. However, current general-purpose search interfaces do not necessarily provide adequate support for non-experts in identifying suitable sources of health information. Popular search engines have recently introduced search tools in their user interfaces for a range of topics. In this work, we explore how such tools can support non-expert, patient-centered health information search. Scoping the current work to medication-related search, we report on findings from a formative study focused on the design of patient-centered, medication-information search tools. Our study included qualitative interviews with patients, family members, and domain experts, as well as observations of their use of Remedy, a technology probe embodying a set of search tools. Post-operative cardiothoracic surgery patients and their visiting family members used the tools to find information about their hospital medications and were interviewed before and after their use. Domain experts conducted similar search tasks and provided qualitative feedback on their preferences and recommendations for designing these tools. Findings from our study suggest the importance of four valuation principles underlying our tools: credibility, readability, consumer perspective, and topical relevance. PMID:28163972

Small cause - big effect: improvement in interface design results in improved data quality - a multicenter crossover study.

PubMed

Ahlbrandt, Janko; Henrich, Michael; Hartmann, Bernd A; Bundschuh, Bettina B; Schwarz, Julia; Klasen, Joachim; Röhrig, Rainer

2012-01-01

In Germany the core data set for anesthesia version 3.0 was recently introduced for external quality assurance, which includes five surgical tracer procedures. We found a low rate of correctly documented tracers when compared to procedure data (OPS-Codes) documented separately. Examination revealed that the graphical user interface (GUI) contravened the dialogue principles as defined in EN ISO 9241-110. We worked with the manufacturer to implement small improvements and roll out the software. A crossover study was conducted at a university hospital and a municipal hospital chain with five hospitals. All study sites and surgical tracer procedures combined, we found an improvement from 42% to 65% (p<0.001; N=34,610) correctly documented anesthesias. We also saw improvements for most of the observed surgical tracer procedures at all hospitals. Our results show the big effect small changes to the GUI can have on data quality. They also raise the question, if highly flexible and parameterized clinical documentation systems are suited to achieve high usability. Finding the right balance between GUIs designed by usability experts and the flexibility of parameterization by administrators will be a difficult task for the future and subject to further research.

Patient-Centered Tools for Medication Information Search.

PubMed

Wilcox, Lauren; Feiner, Steven; Elhadad, Noémie; Vawdrey, David; Tran, Tran H

2014-05-20

Recent research focused on online health information seeking highlights a heavy reliance on general-purpose search engines. However, current general-purpose search interfaces do not necessarily provide adequate support for non-experts in identifying suitable sources of health information. Popular search engines have recently introduced search tools in their user interfaces for a range of topics. In this work, we explore how such tools can support non-expert, patient-centered health information search. Scoping the current work to medication-related search, we report on findings from a formative study focused on the design of patient-centered, medication-information search tools. Our study included qualitative interviews with patients, family members, and domain experts, as well as observations of their use of Remedy, a technology probe embodying a set of search tools. Post-operative cardiothoracic surgery patients and their visiting family members used the tools to find information about their hospital medications and were interviewed before and after their use. Domain experts conducted similar search tasks and provided qualitative feedback on their preferences and recommendations for designing these tools. Findings from our study suggest the importance of four valuation principles underlying our tools: credibility, readability, consumer perspective, and topical relevance.

Tilt engineering of exchange coupling at G-type SrMnO3/(La,Sr)MnO3 interfaces

NASA Astrophysics Data System (ADS)

Li, F.; Song, C.; Wang, Y. Y.; Cui, B.; Mao, H. J.; Peng, J. J.; Li, S. N.; Wang, G. Y.; Pan, F.

2015-11-01

With the recent realization of hybrid improper ferroelectricity and room-temperature multiferroic by tilt engineering, “functional” octahedral tilting has become a novel concept in multifunctional perovskite oxides, showing great potential for property manipulation and device design. However, the control of magnetism by octahedral tilting has remained a challenging issue. Here a qualitative and quantitative tilt engineering of exchange coupling, one of the magnetic properties, is demonstrated at compensated G-type antiferromagnetic/ferromagnetic (SrMnO3/La2/3Sr1/3MnO3) interfaces. According to interfacial Hamiltonian, exchange bias (EB) in this system originates from an in-plane antiphase rotation (a-) in G-type antiferromagnetic layer. Based on first-principles calculation, tilt patterns in SrMnO3 are artificially designed in experiment with different epitaxial strain and a much stronger EB is attained in the tensile heterostructure than the compressive counterpart. By controlling the magnitude of octahedral tilting, the manipulation of exchange coupling is even performed in a quantitative manner, as expected in the theoretical estimation. This work realized the combination of tilt engineering and exchange coupling, which might be significant for the development of multifunctional materials and antiferromagnetic spintronics.

A micro-machined piezoelectric flexural-mode hydrophone with air backing: a hydrostatic pressure-balancing mechanism for integrity preservation.

PubMed

Choi, Sungjoon; Lee, Haksue; Moon, Wonkyu

2010-09-01

Although an air-backed thin plate is an effective sound receiver structure, it is easily damaged via pressure unbalance caused by external hydrostatic pressure. To overcome this difficulty, a simple pressure-balancing module is proposed. Despite its small size and relative simplicity, with proper design and operation, micro-channel structure provides a solution to the pressure-balancing problem. If the channel size is sufficiently small, the gas-liquid interface may move back and forth without breach by the hydrostatic pressure since the surface tension can retain the interface surface continuously. One input port of the device is opened to an intermediate liquid, while the other port is connected to the air-backing chamber. As the hydrostatic pressure increases, the liquid in the micro-channel compresses the air, and the pressure in the backing chamber is then equalized to match the external hydrostatic pressure. To validate the performance of the proposed mechanism, a micro-channel prototype is designed and integrated with the piezoelectric micro-machined flexural sensor developed in our previous work. The working principle of the mechanism is experimentally verified. In addition, the effect of hydrostatic pressure on receiving sensitivity is evaluated and compared with predicted behavior.

Hybrid Surface Patterns Mimicking the Design of the Adhesive Toe Pad of Tree Frog.

PubMed

Xue, Longjian; Sanz, Belén; Luo, Aoyi; Turner, Kevin T; Wang, Xin; Tan, Di; Zhang, Rui; Du, Hang; Steinhart, Martin; Mijangos, Carmen; Guttmann, Markus; Kappl, Michael; Del Campo, Aránzazu

2017-10-24

Biological materials achieve directional reinforcement with oriented assemblies of anisotropic building blocks. One such example is the nanocomposite structure of keratinized epithelium on the toe pad of tree frogs, in which hexagonal arrays of (soft) epithelial cells are crossed by densely packed and oriented (hard) keratin nanofibrils. Here, a method is established to fabricate arrays of tree-frog-inspired composite micropatterns composed of polydimethylsiloxane (PDMS) micropillars embedded with polystyrene (PS) nanopillars. Adhesive and frictional studies of these synthetic materials reveal a benefit of the hierarchical and anisotropic design for both adhesion and friction, in particular, at high matrix-fiber interfacial strengths. The presence of PS nanopillars alters the stress distribution at the contact interface of micropillars and therefore enhances the adhesion and friction of the composite micropattern. The results suggest a design principle for bioinspired structural adhesives, especially for wet environments.

Hybrid Surface Patterns Mimicking the Design of the Adhesive Toe Pad of Tree Frog

PubMed Central

2017-01-01

Biological materials achieve directional reinforcement with oriented assemblies of anisotropic building blocks. One such example is the nanocomposite structure of keratinized epithelium on the toe pad of tree frogs, in which hexagonal arrays of (soft) epithelial cells are crossed by densely packed and oriented (hard) keratin nanofibrils. Here, a method is established to fabricate arrays of tree-frog-inspired composite micropatterns composed of polydimethylsiloxane (PDMS) micropillars embedded with polystyrene (PS) nanopillars. Adhesive and frictional studies of these synthetic materials reveal a benefit of the hierarchical and anisotropic design for both adhesion and friction, in particular, at high matrix–fiber interfacial strengths. The presence of PS nanopillars alters the stress distribution at the contact interface of micropillars and therefore enhances the adhesion and friction of the composite micropattern. The results suggest a design principle for bioinspired structural adhesives, especially for wet environments. PMID:28885831

Quasiparticle band structures and interface physics of SnS and GeS

NASA Astrophysics Data System (ADS)

Malone, Brad; Kaxiras, Efthimios

2013-03-01

Orthorhombic SnS and GeS are layered materials made of earth-abundant elements which have the potential to play a useful role in the massive scale up of renewable power necessary by 2050 to avoid unmanageable levels of climate change. We report on first principles calculations of the quasiparticle spectra of these two materials, predicting the type and magnitude of the fundamental band gap, a quantity which shows a strong degree of scatter in the experimental literature. Additionally, in order to evaluate the possible role of GeS as an electron-blocking layer in a SnS-based photovoltaic device, we investigate the band offsets of the interfaces between these materials along the three principle crystallographic directions. We find that while the valence-band offsets are similar along the three principle directions, the conduction-band offsets display a substantial amount of anisotropy.

Interfacing Optical Document Scanners: Principles and Practical Considerations.

ERIC Educational Resources Information Center

Krus, David J.; Kodimer, Dennis

1987-01-01

Handlers for interfacing the ScanTron and 2700 Optical Mark Readers with the IBM AT/XT/PC and Tandy 2000/1000/3000 iAPX 88/186/286 based computers were described. Differences between programing an RS232C serial port using BIOS interrupts and directly addressing the Motorola 8550 ART microprocessor were discussed. (Author/LMO)

First-principles calculation of electronic energy level alignment at electrochemical interfaces

NASA Astrophysics Data System (ADS)

Azar, Yavar T.; Payami, Mahmoud

2017-08-01

Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this study, using first-principles DFT calculation, we have determined the level shifts of the semiconductors TiO2 and ZnO at the interfaces with MeCN and DMF solvent molecules. The level shifts of semiconductor are obtained using the potential difference between the clean and exposed surfaces of asymmetric slabs. In this work, neglecting the effects of present ions in the electrolyte solution, we have shown that the solvent molecules give rise to an up-shift for the levels, and the amount of this shift varies with coverage. It is also shown that the shapes of density of states do not change sensibly near the gap. Molecular dynamics simulations of the interface have shown that at room temperatures the semiconductor surface is not fully covered by the solvent molecules, and one must use intermediate values in an static calculations.

Multimodal Interfaces: Literature Review of Ecological Interface Design, Multimodal Perception and Attention, and Intelligent Adaptive Multimodal Interfaces

DTIC Science & Technology

2010-05-01

Multimodal Interfaces Literature Review of Ecological Interface Design , Multimodal Perception and Attention, and Intelligent... Design , Multimodal Perception and Attention, and Intelligent Adaptive Multimodal Interfaces Wayne Giang, Sathya Santhakumaran, Ehsan Masnavi, Doug...Advanced Interface Design Laboratory, E2-1303N 200 University Avenue West Waterloo, Ontario Canada N2L 3G1 Contract Project Manager: Dr. Catherine

Strontium ruthenate-anatase titanium dioxide heterojunctions from first-principles: Electronic structure, spin, and interface dipoles

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2016-07-01

The epitaxial integration of functional oxides with wide band gap semiconductors offers the possibility of new material systems for electronics and energy conversion applications. We use first principles to consider an epitaxial interface between the correlated metal oxide SrRuO3 and the wide band gap semiconductor TiO2, and assess energy level alignment, interfacial chemistry, and interfacial dipole formation. Due to the ferromagnetic, half-metallic character of SrRuO3, according to which only one spin is present at the Fermi level, we demonstrate the existence of a spin dependent band alignment across the interface. For two different terminations of SrRuO3, the interface is found to be rectifying with a Schottky barrier of ≈1.3-1.6 eV, in good agreement with experiment. In the minority spin, SrRuO3 exhibits a Schottky barrier alignment with TiO2 and our calculated Schottky barrier height is in excellent agreement with previous experimental measurements. For majority spin carriers, we find that SrRuO3 recovers its exchange splitting gap and bulk-like properties within a few monolayers of the interface. These results demonstrate a possible approach to achieve spin-dependent transport across a heteroepitaxial interface between a functional oxide material and a conventional wide band gap semiconductor.

Protein-Protein Interface Predictions by Data-Driven Methods: A Review

PubMed Central

Xue, Li C; Dobbs, Drena; Bonvin, Alexandre M.J.J.; Honavar, Vasant

2015-01-01

Reliably pinpointing which specific amino acid residues form the interface(s) between a protein and its binding partner(s) is critical for understanding the structural and physicochemical determinants of protein recognition and binding affinity, and has wide applications in modeling and validating protein interactions predicted by high-throughput methods, in engineering proteins, and in prioritizing drug targets. Here, we review the basic concepts, principles and recent advances in computational approaches to the analysis and prediction of protein-protein interfaces. We point out caveats for objectively evaluating interface predictors, and discuss various applications of data-driven interface predictors for improving energy model-driven protein-protein docking. Finally, we stress the importance of exploiting binding partner information in reliably predicting interfaces and highlight recent advances in this emerging direction. PMID:26460190

GOATS Image Projection Component

NASA Technical Reports Server (NTRS)

Haber, Benjamin M.; Green, Joseph J.

2011-01-01

When doing mission analysis and design of an imaging system in orbit around the Earth, answering the fundamental question of imaging performance requires an understanding of the image products that will be produced by the imaging system. GOATS software represents a series of MATLAB functions to provide for geometric image projections. Unique features of the software include function modularity, a standard MATLAB interface, easy-to-understand first-principles-based analysis, and the ability to perform geometric image projections of framing type imaging systems. The software modules are created for maximum analysis utility, and can all be used independently for many varied analysis tasks, or used in conjunction with other orbit analysis tools.

Diffraction enhance x-ray imaging for quantitative phase contrast studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agrawal, A. K.; Singh, B., E-mail: balwants@rrcat.gov.in; Kashyap, Y. S.

2016-05-23

Conventional X-ray imaging based on absorption contrast permits limited visibility of feature having small density and thickness variations. For imaging of weakly absorbing material or materials possessing similar densities, a novel phase contrast imaging techniques called diffraction enhanced imaging has been designed and developed at imaging beamline Indus-2 RRCAT Indore. The technique provides improved visibility of the interfaces and show high contrast in the image forsmall density or thickness gradients in the bulk. This paper presents basic principle, instrumentation and analysis methods for this technique. Initial results of quantitative phase retrieval carried out on various samples have also been presented.

Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations

NASA Astrophysics Data System (ADS)

Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Schwarz, Kathleen A.

2018-04-01

Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally efficient continuum solvation methodologies. We develop a model for the double layer of a metallic electrode that reproduces the features of the experimental capacitance of Ag(100) in a non-adsorbing, aqueous electrolyte, including a broad hump in the capacitance near the potential of zero charge and a dip in the capacitance under conditions of low ionic strength. Using this model, we identify the necessary characteristics of a solvation model suitable for first-principles electrochemistry of metal surfaces in non-adsorbing, aqueous electrolytes: dielectric and ionic nonlinearity, and a dielectric-only region at the interface. The dielectric nonlinearity, caused by the saturation of dipole rotational response in water, creates the capacitance hump, while ionic nonlinearity, caused by the compactness of the diffuse layer, generates the capacitance dip seen at low ionic strength. We show that none of the previously developed solvation models simultaneously meet all these criteria. We design the nonlinear electrochemical soft-sphere solvation model which both captures the capacitance features observed experimentally and serves as a general-purpose continuum solvation model.

Health care professional workstation: software system construction using DSSA scenario-based engineering process.

PubMed

Hufnagel, S; Harbison, K; Silva, J; Mettala, E

1994-01-01

This paper describes a new method for the evolutionary determination of user requirements and system specifications called scenario-based engineering process (SEP). Health care professional workstations are critical components of large scale health care system architectures. We suggest that domain-specific software architectures (DSSAs) be used to specify standard interfaces and protocols for reusable software components throughout those architectures, including workstations. We encourage the use of engineering principles and abstraction mechanisms. Engineering principles are flexible guidelines, adaptable to particular situations. Abstraction mechanisms are simplifications for management of complexity. We recommend object-oriented design principles, graphical structural specifications, and formal components' behavioral specifications. We give an ambulatory care scenario and associated models to demonstrate SEP. The scenario uses health care terminology and gives patients' and health care providers' system views. Our goal is to have a threefold benefit. (i) Scenario view abstractions provide consistent interdisciplinary communications. (ii) Hierarchical object-oriented structures provide useful abstractions for reuse, understandability, and long term evolution. (iii) SEP and health care DSSA integration into computer aided software engineering (CASE) environments. These environments should support rapid construction and certification of individualized systems, from reuse libraries.

A CMOS high speed imaging system design based on FPGA

NASA Astrophysics Data System (ADS)

Tang, Hong; Wang, Huawei; Cao, Jianzhong; Qiao, Mingrui

2015-10-01

CMOS sensors have more advantages than traditional CCD sensors. The imaging system based on CMOS has become a hot spot in research and development. In order to achieve the real-time data acquisition and high-speed transmission, we design a high-speed CMOS imaging system on account of FPGA. The core control chip of this system is XC6SL75T and we take advantages of CameraLink interface and AM41V4 CMOS image sensors to transmit and acquire image data. AM41V4 is a 4 Megapixel High speed 500 frames per second CMOS image sensor with global shutter and 4/3" optical format. The sensor uses column parallel A/D converters to digitize the images. The CameraLink interface adopts DS90CR287 and it can convert 28 bits of LVCMOS/LVTTL data into four LVDS data stream. The reflected light of objects is photographed by the CMOS detectors. CMOS sensors convert the light to electronic signals and then send them to FPGA. FPGA processes data it received and transmits them to upper computer which has acquisition cards through CameraLink interface configured as full models. Then PC will store, visualize and process images later. The structure and principle of the system are both explained in this paper and this paper introduces the hardware and software design of the system. FPGA introduces the driven clock of CMOS. The data in CMOS is converted to LVDS signals and then transmitted to the data acquisition cards. After simulation, the paper presents a row transfer timing sequence of CMOS. The system realized real-time image acquisition and external controls.

rFN/Cad-11-Modified Collagen Type II Biomimetic Interface Promotes the Adhesion and Chondrogenic Differentiation of Mesenchymal Stem Cells

PubMed Central

Guo, Hongfeng; Zhang, Yuan; Li, Zhengsheng; Kang, Fei; Yang, Bo; Kang, Xia; Wen, Can; Yan, Yanfei; Jiang, Bo; Fan, Yujiang

2013-01-01

Properties of the cell-material interface are determining factors in the successful function of cells for cartilage tissue engineering. Currently, cell adhesion is commonly promoted through the use of polypeptides; however, due to their lack of complementary or modulatory domains, polypeptides must be modified to improve their ability to promote adhesion. In this study, we utilized the principle of matrix-based biomimetic modification and a recombinant protein, which spans fragments 7–10 of fibronectin module III (heterophilic motif ) and extracellular domains 1–2 of cadherin-11 (rFN/Cad-11) (homophilic motif ), to modify the interface of collagen type II (Col II) sponges. We showed that the designed material was able to stimulate cell proliferation and promote better chondrogenic differentiation of rabbit mesenchymal stem cells (MSCs) in vitro than both the FN modified surfaces and the negative control. Further, the Col II/rFN/Cad-11-MSCs composite stimulated cartilage formation in vivo; the chondrogenic effect of Col II alone was much less significant. These results suggested that the rFN/Cad-11-modified collagen type II biomimetic interface has dual biological functions of promoting adhesion and stimulating chondrogenic differentiation. This substance, thus, may serve as an ideal scaffold material for cartilage tissue engineering, enhancing repair of injured cartilage in vivo. PMID:23919505

Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

PubMed Central

Nazir, S.; Amin, B.; Schwingenschlögl, U.

2013-01-01

Cation intermixing at the n-type polar LaGaO3/SrTiO3 (001) interface is investigated by first principles calculations. Ti⇔Ga, Sr⇔La, and SrTi⇔LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3dxy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface. PMID:24296477

Scenarios, personas and user stories from design ethnography: Evidence-based design representations of communicable disease investigations

PubMed Central

Turner, Anne M; Reeder, Blaine; Ramey, Judith

2014-01-01

Purpose Despite years of effort and millions of dollars spent to create a unified electronic communicable disease reporting systems, the goal remains elusive. A major barrier has been a lack of understanding by system designers of communicable disease (CD) work and the public health workers who perform this work. This study reports on the application of User Center Design representations, traditionally used for improving interface design, to translate the complex CD work identified through ethnographic studies to guide designers and developers of CD systems. The purpose of this work is to: (1) better understand public health practitioners and their information workflow with respect to communicable disease (CD) monitoring and control at a local health department, and (2) to develop evidence-based design representations that model this CD work to inform the design of future disease surveillance systems. Methods We performed extensive onsite semi-structured interviews, targeted work shadowing and a focus group to characterize local health department communicable disease workflow. Informed by principles of design ethnography and user-centered design (UCD) we created persona, scenarios and user stories to accurately represent the user to system designers. Results We sought to convey to designers the key findings from ethnographic studies: 1) that public health CD work is mobile and episodic, in contrast to current CD reporting systems, which are stationary and fixed 2) health department efforts are focused on CD investigation and response rather than reporting and 3) current CD information systems must conform to PH workflow to ensure their usefulness. In an effort to illustrate our findings to designers, we developed three contemporary design-support representations: persona, scenario, and user story. Conclusions Through application of user centered design principles, we were able to create design representations that illustrate complex public health communicable disease workflow and key user characteristics to inform the design of CD information systems for public health. PMID:23618996

The investigation of Ag/ZnO interface system by first principle: The structural, electronic and optical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Hai-Xia; Wang, Xiao-Xu; Beijing Computing Center, Beijing 100094

Ag/ZnO interfaces have been investigated for both of Zn-termination and O-termination by the first principle based on density functional theory. Our calculations demonstrate that the Ag atoms go inward from the Ag/ZnO interface, and the Zn and O atoms are all move outward bulk in the Zn-termination interface, and the changes are just opposite for O-termination. These behaviors are in agreement with the other studies in literatures. Furthermore, an expansion situation is observed in the first two Zn-O bilayer and first three Ag monolayers for both of Zn-termination and O-termination interfaces by comparing with the pure ZnO(0001) and Ag(111) surfaces.more » Moreover, the valence-band both of O-2p and Zn-3d states of Ag/ZnO interface gradual close to Femi level as the Zn, O atoms locate at the deeper layer for Zn-termination, but it is the other way round for O-termination. Calculated absorption spectrum indicates that the absorption intensity of Zn-termination interface is stronger than that of O-termination in the lower energy range (visible light region). These properties of ZnO surfaces are also evaluated for comparison with interfaces. - Graphical abstract: The structures of Ag/ZnO interface: Zn-termination (left) and O-termination (right). In this Ag/ZnO interface system, the ZnO (0001) surface is rotated 30°(R30), and Ag (111) surface is built (2×2) supercell, then a (2×√3) R30 Ag/ZnO interface is constructed using the supercell method (i.e. periodically repeated slabs). The lattice mismatch of (2×√3) R30 Ag/ZnO (2.6% mismatch) is smaller than that of (1×1) Ag/ZnO (11% mismatch).« less

Tunneling magnetoresistance and electroresistance in Fe/PbTiO{sub 3}/Fe multiferroic tunnel junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dai, Jian-Qing, E-mail: djqkust@sina.com

We perform first-principles electronic structure and spin-dependent transport calculations for a Fe/PbTiO{sub 3}/Fe multiferroic tunnel junction with asymmetric TiO{sub 2}- and PbO-terminated interfaces. We demonstrate that the interfacial electronic reconstruction driven by the in situ screening of ferroelectric polarization, in conjunction with the intricate complex band structure of barrier, play a decisive role in controlling the spin-dependent tunneling. Reversal of ferroelectric polarization results in a transition from insulating to half-metal-like conducting state for the interfacial Pb 6p{sub z} orbitals, which acts as an atomic-scale spin-valve by releasing the tunneling current in antiparallel magnetization configuration as the ferroelectric polarization pointing tomore » the PbO-terminated interface. This effect produces large change in tunneling conductance. Our results open an attractive avenue in designing multiferroic tunnel junctions with excellent performance by exploiting the interfacial electronic reconstruction originated from the in situ screening of ferroelectric polarization.« less

OpenMI: the essential concepts and their implications for legacy software

NASA Astrophysics Data System (ADS)

Gregersen, J. B.; Gijsbers, P. J. A.; Westen, S. J. P.; Blind, M.

2005-08-01

Information & Communication Technology (ICT) tools such as computational models are very helpful in designing river basin management plans (rbmp-s). However, in the scientific world there is consensus that a single integrated modelling system to support e.g. the implementation of the Water Framework Directive cannot be developed and that integrated systems need to be very much tailored to the local situation. As a consequence there is an urgent need to increase the flexibility of modelling systems, such that dedicated model systems can be developed from available building blocks. The HarmonIT project aims at precisely that. Its objective is to develop and implement a standard interface for modelling components and other relevant tools: The Open Modelling Interface (OpenMI) standard. The OpenMI standard has been completed and documented. It relies entirely on the "pull" principle, where data are pulled by one model from the previous model in the chain. This paper gives an overview of the OpenMI standard, explains the foremost concepts and the rational behind it.

Dopant-Modulating Mechanism of Lithium Adsorption and Diffusion at the Graphene /Li2S Interface

NASA Astrophysics Data System (ADS)

Guo, Lichao; Li, Jiajun; Wang, Huayu; Zhao, Naiqin; Shi, Chunsheng; Ma, Liying; He, Chunnian; He, Fang; Liu, Enzuo

2018-02-01

Graphene modification is one of the most effective routes to enhance the electrochemical properties of the transition-metal sulfide anode for Li-ion batteries and the Li2S cathode for Li-S batteries. Boron, nitrogen, oxygen, phosphorus, and sulfur doping greatly affect the electrochemical properties of Li2S /graphene . Here, we investigate the interfacial binding energy, lithium adsorption energy, interface diffusion barrier, and electronic structure by first-principles calculations to unveil the diverse effects of different dopants during interfacial lithiation reactions. The interfacial lithium storage follows the pseudocapacitylike mechanism with intercalation character. Two different mechanisms are revealed to enhance the interfacial lithium adsorption and diffusion, which are the electron-deficiency host doping and the vacancylike structure evolutions with bond breaking. The synergistic effect between different dopants with diverse doping effects is also proposed. The results give a theoretical basis for the materials design with doped graphene as advanced materials modification for energy storage.

Spatiotemporal source tuning filter bank for multiclass EEG based brain computer interfaces.

PubMed

Acharya, Soumyadipta; Mollazadeh, Moshen; Murari, Kartikeya; Thakor, Nitish

2006-01-01

Non invasive brain-computer interfaces (BCI) allow people to communicate by modulating features of their electroencephalogram (EEG). Spatiotemporal filtering has a vital role in multi-class, EEG based BCI. In this study, we used a novel combination of principle component analysis, independent component analysis and dipole source localization to design a spatiotemporal multiple source tuning (SPAMSORT) filter bank, each channel of which was tuned to the activity of an underlying dipole source. Changes in the event-related spectral perturbation (ERSP) were measured and used to train a linear support vector machine to classify between four classes of motor imagery tasks (left hand, right hand, foot and tongue) for one subject. ERSP values were significantly (p<0.01) different across tasks and better (p<0.01) than conventional spatial filtering methods (large Laplacian and common average reference). Classification resulted in an average accuracy of 82.5%. This approach could lead to promising BCI applications such as control of a prosthesis with multiple degrees of freedom.

Effects of Molybdenum Addition on Hydrogen Desorption of TiC Precipitation-Hardened Steel

NASA Astrophysics Data System (ADS)

Song, Eun Ju; Baek, Seung-Wook; Nahm, Seung Hoon; Suh, Dong-Woo

2018-05-01

The hydrogen-trap states in TiC and MoC that have coherent interfaces with ferrite were investigated using first-principles calculation. The trapping sites of TiC were the interfaces and interstitial sites of ferrite. On the other hand, the trapping sites of MoC were ferrite interstitial sites; the interface had a negative binding energy with H. Thermal desorption analysis confirms that the amounts of diffusible hydrogen were significantly reduced by addition of Mo in Ti-bearing steel.

Scenarios, personas and user stories: user-centered evidence-based design representations of communicable disease investigations.

PubMed

Turner, Anne M; Reeder, Blaine; Ramey, Judith

2013-08-01

Despite years of effort and millions of dollars spent to create unified electronic communicable disease reporting systems, the goal remains elusive. A major barrier has been a lack of understanding by system designers of communicable disease (CD) work and the public health workers who perform this work. This study reports on the application of user-centered design representations, traditionally used for improving interface design, to translate the complex CD work identified through ethnographic studies to guide designers and developers of CD systems. The purpose of this work is to: (1) better understand public health practitioners and their information workflow with respect to CD monitoring and control at a local health agency, and (2) to develop evidence-based design representations that model this CD work to inform the design of future disease surveillance systems. We performed extensive onsite semi-structured interviews, targeted work shadowing and a focus group to characterize local health agency CD workflow. Informed by principles of design ethnography and user-centered design we created persona, scenarios and user stories to accurately represent the user to system designers. We sought to convey to designers the key findings from ethnographic studies: (1) public health CD work is mobile and episodic, in contrast to current CD reporting systems, which are stationary and fixed, (2) health agency efforts are focused on CD investigation and response rather than reporting and (3) current CD information systems must conform to public health workflow to ensure their usefulness. In an effort to illustrate our findings to designers, we developed three contemporary design-support representations: persona, scenario, and user story. Through application of user-centered design principles, we were able to create design representations that illustrate complex public health communicable disease workflow and key user characteristics to inform the design of CD information systems for public health. Copyright © 2013 Elsevier Inc. All rights reserved.

Bond strength and interface energy between Pd membranes and TiAl supports

NASA Astrophysics Data System (ADS)

Gong, H. R.; He, Y. H.; Huang, B. Y.

2008-09-01

Intermetallic TiAl alloy is proposed as a promising support for Pd membranes. First principles calculations reveal that coherent Pd/TiAl interfaces possess high values of bond strengths. Calculations also show that Ti-terminated (100) Pd/(100) TiAl and (110) Pd/(110) TiAl interfaces are energetically favorable with negative interface energies of about -3.1 J/m2, and that the bond strengths of Pd-Ti are bigger than those of Pd-Al. In addition, densities of states calculations suggest that a stronger chemical bonding is formed in the Pd/TiAl interface than corresponding Pd or TiAl bulks, which agrees well with similar experimental observations in literature.

eduSPIM: Light Sheet Microscopy in the Museum

PubMed Central

Schmid, Benjamin; Weber, Michael; Huisken, Jan

2016-01-01

Light Sheet Microscopy in the Museum Light sheet microscopy (or selective plane illumination microscopy) is an important imaging technique in the life sciences. At the same time, this technique is also ideally suited for community outreach projects, because it produces visually appealing, highly dynamic images of living organisms and its working principle can be understood with basic optics knowledge. Still, the underlying concepts are widely unknown to the non-scientific public. On the occasion of the UNESCO International Year of Light, a technical museum in Dresden, Germany, launched a special, interactive exhibition. We built a fully functional, educational selective plane illumination microscope (eduSPIM) to demonstrate how developments in microscopy promote discoveries in biology. Design Principles of an Educational Light Sheet Microscope To maximize educational impact, we radically reduced a standard light sheet microscope to its essential components without compromising functionality and incorporated stringent safety concepts beyond those needed in the lab. Our eduSPIM system features one illumination and one detection path and a sealed sample chamber. We image fixed zebrafish embryos with fluorescent vasculature, because the structure is meaningful to laymen and visualises the optical principles of light sheet microscopy. Via a simplified interface, visitors acquire fluorescence and transmission data simultaneously. The eduSPIM Design Is Tailored Easily to Fit Numerous Applications The universal concepts presented here may also apply to other scientific approaches that are communicated to laymen in interactive settings. The specific eduSPIM design is adapted easily for various outreach and teaching activities. eduSPIM may even prove useful for labs needing a simple SPIM. A detailed parts list and schematics to rebuild eduSPIM are provided. PMID:27560188

MRML: an extensible communication protocol for interoperability and benchmarking of multimedia information retrieval systems

NASA Astrophysics Data System (ADS)

Mueller, Wolfgang; Mueller, Henning; Marchand-Maillet, Stephane; Pun, Thierry; Squire, David M.; Pecenovic, Zoran; Giess, Christoph; de Vries, Arjen P.

2000-10-01

While in the area of relational databases interoperability is ensured by common communication protocols (e.g. ODBC/JDBC using SQL), Content Based Image Retrieval Systems (CBIRS) and other multimedia retrieval systems are lacking both a common query language and a common communication protocol. Besides its obvious short term convenience, interoperability of systems is crucial for the exchange and analysis of user data. In this paper, we present and describe an extensible XML-based query markup language, called MRML (Multimedia Retrieval markup Language). MRML is primarily designed so as to ensure interoperability between different content-based multimedia retrieval systems. Further, MRML allows researchers to preserve their freedom in extending their system as needed. MRML encapsulates multimedia queries in a way that enable multimedia (MM) query languages, MM content descriptions, MM query engines, and MM user interfaces to grow independently from each other, reaching a maximum of interoperability while ensuring a maximum of freedom for the developer. For benefitting from this, only a few simple design principles have to be respected when extending MRML for one's fprivate needs. The design of extensions withing the MRML framework will be described in detail in the paper. MRML has been implemented and tested for the CBIRS Viper, using the user interface Snake Charmer. Both are part of the GNU project and can be downloaded at our site.

JDFTx: Software for joint density-functional theory

DOE PAGES

Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Schwarz, Kathleen A.; ...

2017-11-14

Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate predictions of new classes of materials and properties, and for connecting to nano- and mesoscale properties using coarse-grained theories. JDFTx is a fully-featured open-source electronic DFT software designed specifically to facilitate rapid development of new theories, models and algorithms. Using an algebraic formulation as an abstraction layer, compact C++11 code automatically performs well on diverse hardware including GPUs (Graphics Processing Units). This code hosts the development of joint density-functional theory (JDFT) thatmore » combines electronic DFT with classical DFT and continuum models of liquids for first-principles calculations of solvated and electrochemical systems. In addition, the modular nature of the code makes it easy to extend and interface with, facilitating the development of multi-scale toolkits that connect to ab initio calculations, e.g. photo-excited carrier dynamics combining electron and phonon calculations with electromagnetic simulations.« less

JDFTx: Software for joint density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Schwarz, Kathleen A.

Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate predictions of new classes of materials and properties, and for connecting to nano- and mesoscale properties using coarse-grained theories. JDFTx is a fully-featured open-source electronic DFT software designed specifically to facilitate rapid development of new theories, models and algorithms. Using an algebraic formulation as an abstraction layer, compact C++11 code automatically performs well on diverse hardware including GPUs (Graphics Processing Units). This code hosts the development of joint density-functional theory (JDFT) thatmore » combines electronic DFT with classical DFT and continuum models of liquids for first-principles calculations of solvated and electrochemical systems. In addition, the modular nature of the code makes it easy to extend and interface with, facilitating the development of multi-scale toolkits that connect to ab initio calculations, e.g. photo-excited carrier dynamics combining electron and phonon calculations with electromagnetic simulations.« less

Framework for non-coherent interface models at finite displacement jumps and finite strains

NASA Astrophysics Data System (ADS)

Ottosen, Niels Saabye; Ristinmaa, Matti; Mosler, Jörn

2016-05-01

This paper deals with a novel constitutive framework suitable for non-coherent interfaces, such as cracks, undergoing large deformations in a geometrically exact setting. For this type of interface, the displacement field shows a jump across the interface. Within the engineering community, so-called cohesive zone models are frequently applied in order to describe non-coherent interfaces. However, for existing models to comply with the restrictions imposed by (a) thermodynamical consistency (e.g., the second law of thermodynamics), (b) balance equations (in particular, balance of angular momentum) and (c) material frame indifference, these models are essentially fiber models, i.e. models where the traction vector is collinear with the displacement jump. This constraints the ability to model shear and, in addition, anisotropic effects are excluded. A novel, extended constitutive framework which is consistent with the above mentioned fundamental physical principles is elaborated in this paper. In addition to the classical tractions associated with a cohesive zone model, the main idea is to consider additional tractions related to membrane-like forces and out-of-plane shear forces acting within the interface. For zero displacement jump, i.e. coherent interfaces, this framework degenerates to existing formulations presented in the literature. For hyperelasticity, the Helmholtz energy of the proposed novel framework depends on the displacement jump as well as on the tangent vectors of the interface with respect to the current configuration - or equivalently - the Helmholtz energy depends on the displacement jump and the surface deformation gradient. It turns out that by defining the Helmholtz energy in terms of the invariants of these variables, all above-mentioned fundamental physical principles are automatically fulfilled. Extensions of the novel framework necessary for material degradation (damage) and plasticity are also covered.

Quantitative first-principles theory of interface absorption in multilayer heterostructures

DOE PAGES

Hachtel, Jordan A.; Sachan, Ritesh; Mishra, Rohan; ...

2015-09-03

The unique chemical bonds and electronic states of interfaces result in optical properties that are different from those of the constituting bulk materials. In the nanoscale regime, the interface effects can be dominant and impact the optical response of devices. Using density functional theory (DFT), the interface effects can be calculated, but DFT is computationally limited to small systems. In this paper, we describe a method to combine DFT with macroscopic methodologies to extract the interface effect on absorption in a consistent and quantifiable manner. The extracted interface effects are an independent parameter and can be applied to more complicatedmore » systems. Finally, we demonstrate, using NiSi 2/Si heterostructures, that by varying the relative volume fractions of interface and bulk, we can tune the spectral range of the heterostructure absorption.« less

The Development of Dispatcher Training Simulator in a Thermal Energy Generation System

NASA Astrophysics Data System (ADS)

Hakim, D. L.; Abdullah, A. G.; Mulyadi, Y.; Hasan, B.

2018-01-01

A dispatcher training simulator (DTS) is a real-time Human Machine Interface (HMI)-based control tool that is able to visualize industrial control system processes. The present study was aimed at developing a simulator tool for boilers in a thermal power station. The DTS prototype was designed using technical data of thermal power station boilers in Indonesia. It was then designed and implemented in Wonderware Intouch 10. The resulting simulator came with component drawing, animation, control display, alarm system, real-time trend, historical trend. This application used 26 tagnames and was equipped with a security system. The test showed that the principles of real-time control worked well. It is expected that this research could significantly contribute to the development of thermal power station, particularly in terms of its application as a training simulator for beginning dispatchers.

A Function-Behavior-State Approach to Designing Human Machine Interface for Nuclear Power Plant Operators

NASA Astrophysics Data System (ADS)

Lin, Y.; Zhang, W. J.

2005-02-01

This paper presents an approach to human-machine interface design for control room operators of nuclear power plants. The first step in designing an interface for a particular application is to determine information content that needs to be displayed. The design methodology for this step is called the interface design framework (called framework ). Several frameworks have been proposed for applications at varying levels, including process plants. However, none is based on the design and manufacture of a plant system for which the interface is designed. This paper presents an interface design framework which originates from design theory and methodology for general technical systems. Specifically, the framework is based on a set of core concepts of a function-behavior-state model originally proposed by the artificial intelligence research community and widely applied in the design research community. Benefits of this new framework include the provision of a model-based fault diagnosis facility, and the seamless integration of the design (manufacture, maintenance) of plants and the design of human-machine interfaces. The missing linkage between design and operation of a plant was one of the causes of the Three Mile Island nuclear reactor incident. A simulated plant system is presented to explain how to apply this framework in designing an interface. The resulting human-machine interface is discussed; specifically, several fault diagnosis examples are elaborated to demonstrate how this interface could support operators' fault diagnosis in an unanticipated situation.

Point defect stability in a semicoherent metallic interface

NASA Astrophysics Data System (ADS)

González, C.; Iglesias, R.; Demkowicz, M. J.

2015-02-01

We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis of the stability and mobility of the two types of defects at the interfaces and neighboring internal layers has been performed and the results have been compared to the equivalent cases in the pure metallic matrices. The different behavior of fcc and bcc metals on both sides of the interface has been specifically assessed. The modeling effort undertaken is the first attempt to study the stability and defect energetics of noncoherent Cu/Nb interfaces from first principles, in order to assess their potential use in radiation-resistant materials.

Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations.

PubMed

Folliet, Nicolas; Roiland, Claire; Bégu, Sylvie; Aubert, Anne; Mineva, Tzonka; Goursot, Annick; Selvaraj, Kaliaperumal; Duma, Luminita; Tielens, Frederik; Mauri, Francesco; Laurent, Guillaume; Bonhomme, Christian; Gervais, Christel; Babonneau, Florence; Azaïs, Thierry

2011-10-26

In the context of nanomedicine, liposils (liposomes and silica) have a strong potential for drug storage and release schemes: such materials combine the intrinsic properties of liposome (encapsulation) and silica (increased rigidity, protective coating, pH degradability). In this work, an original approach combining solid state NMR, molecular dynamics, first principles geometry optimization, and NMR parameters calculation allows the building of a precise representation of the organic/inorganic interface in liposils. {(1)H-(29)Si}(1)H and {(1)H-(31)P}(1)H Double Cross-Polarization (CP) MAS NMR experiments were implemented in order to explore the proton chemical environments around the silica and the phospholipids, respectively. Using VASP (Vienna Ab Initio Simulation Package), DFT calculations including molecular dynamics, and geometry optimization lead to the determination of energetically favorable configurations of a DPPC (dipalmitoylphosphatidylcholine) headgroup adsorbed onto a hydroxylated silica surface that corresponds to a realistic model of an amorphous silica slab. These data combined with first principles NMR parameters calculations by GIPAW (Gauge Included Projected Augmented Wave) show that the phosphate moieties are not directly interacting with silanols. The stabilization of the interface is achieved through the presence of water molecules located in-between the head groups of the phospholipids and the silica surface forming an interfacial H-bonded water layer. A detailed study of the (31)P chemical shift anisotropy (CSA) parameters allows us to interpret the local dynamics of DPPC in liposils. Finally, the VASP/solid state NMR/GIPAW combined approach can be extended to a large variety of organic-inorganic hybrid interfaces.

Study of interfacial strain at the α-Al2O3/monolayer MoS2 interface by first principle calculations

NASA Astrophysics Data System (ADS)

Yu, Sheng; Ran, Shunjie; Zhu, Hao; Eshun, Kwesi; Shi, Chen; Jiang, Kai; Gu, Kunming; Seo, Felix Jaetae; Li, Qiliang

2018-01-01

With the advances in two-dimensional (2D) transition metal dichalcogenides (TMDCs) based metal-oxide-semiconductor field-effect transistor (MOSFET), the interface between the semiconductor channel and gate dielectrics has received considerable attention due to its significant impacts on the morphology and charge transport of the devices. In this study, first principle calculations were utilized to investigate the strain effect induced by the interface between crystalline α-Al2O3 (0001)/h-MoS2 monolayer. The results indicate that the 1.3 nm Al2O3 can induce a 0.3% tensile strain on the MoS2 monolayer. The strain monotonically increases with thicker dielectric layers, inducing more significant impact on the properties of MoS2. In addition, the study on temperature effect indicates that the increasing temperature induces monotonic lattice expansion. This study clearly indicates that the dielectric engineering can effectively tune the properties of 2D TMDCs, which is very attractive for nanoelectronics.

A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds

PubMed Central

Stranges, P Benjamin; Kuhlman, Brian

2013-01-01

The accurate design of new protein–protein interactions is a longstanding goal of computational protein design. However, most computationally designed interfaces fail to form experimentally. This investigation compares five previously described successful de novo interface designs with 158 failures. Both sets of proteins were designed with the molecular modeling program Rosetta. Designs were considered a success if a high-resolution crystal structure of the complex closely matched the design model and the equilibrium dissociation constant for binding was less than 10 μM. The successes and failures represent a wide variety of interface types and design goals including heterodimers, homodimers, peptide-protein interactions, one-sided designs (i.e., where only one of the proteins was mutated) and two-sided designs. The most striking feature of the successful designs is that they have fewer polar atoms at their interfaces than many of the failed designs. Designs that attempted to create extensive sets of interface-spanning hydrogen bonds resulted in no detectable binding. In contrast, polar atoms make up more than 40% of the interface area of many natural dimers, and native interfaces often contain extensive hydrogen bonding networks. These results suggest that Rosetta may not be accurately balancing hydrogen bonding and electrostatic energies against desolvation penalties and that design processes may not include sufficient sampling to identify side chains in preordered conformations that can fully satisfy the hydrogen bonding potential of the interface. PMID:23139141

A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds.

PubMed

Stranges, P Benjamin; Kuhlman, Brian

2013-01-01

The accurate design of new protein-protein interactions is a longstanding goal of computational protein design. However, most computationally designed interfaces fail to form experimentally. This investigation compares five previously described successful de novo interface designs with 158 failures. Both sets of proteins were designed with the molecular modeling program Rosetta. Designs were considered a success if a high-resolution crystal structure of the complex closely matched the design model and the equilibrium dissociation constant for binding was less than 10 μM. The successes and failures represent a wide variety of interface types and design goals including heterodimers, homodimers, peptide-protein interactions, one-sided designs (i.e., where only one of the proteins was mutated) and two-sided designs. The most striking feature of the successful designs is that they have fewer polar atoms at their interfaces than many of the failed designs. Designs that attempted to create extensive sets of interface-spanning hydrogen bonds resulted in no detectable binding. In contrast, polar atoms make up more than 40% of the interface area of many natural dimers, and native interfaces often contain extensive hydrogen bonding networks. These results suggest that Rosetta may not be accurately balancing hydrogen bonding and electrostatic energies against desolvation penalties and that design processes may not include sufficient sampling to identify side chains in preordered conformations that can fully satisfy the hydrogen bonding potential of the interface. Copyright © 2012 The Protein Society.

First principles molecular dynamics of metal/water interfaces under bias potential

NASA Astrophysics Data System (ADS)

Pedroza, Luana; Brandimarte, Pedro; Rocha, Alexandre; Fernandez-Serra, Marivi

2014-03-01

Understanding the interaction of the water-metal system at an atomic level is extremely important in electrocatalysts for fuel cells, photocatalysis among other systems. The question of the interface energetics involves a detailed study of the nature of the interactions between water-water and water-substrate. A first principles description of all components of the system is the most appropriate methodology in order to advance understanding of electrochemically processes. In this work we describe, using first principles molecular dynamics simulations, the dynamics of a combined surface(Au and Pd)/water system both in the presence and absence of an external bias potential applied to the electrodes, as one would come across in electrochemistry. This is accomplished using a combination of density functional theory (DFT) and non-equilibrium Green's functions methods (NEGF), thus accounting for the fact that one is dealing with an out-of-equilibrium open system, with and without van der Waals interactions. DOE Early Career Award No. DE-SC0003871.

Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations

DOE PAGES

Zhu, Yizhou; He, Xingfeng; Mo, Yifei

2015-10-06

First-principles calculations were performed to investigate the electrochemical stability of lithium solid electrolyte materials in all-solid-state Li-ion batteries. The common solid electrolytes were found to have a limited electrochemical window. Our results suggest that the outstanding stability of the solid electrolyte materials is not thermodynamically intrinsic but is originated from kinetic stabilizations. The sluggish kinetics of the decomposition reactions cause a high overpotential leading to a nominally wide electrochemical window observed in many experiments. The decomposition products, similar to the solid-electrolyte-interphases, mitigate the extreme chemical potential from the electrodes and protect the solid electrolyte from further decompositions. With the aidmore » of the first-principles calculations, we revealed the passivation mechanism of these decomposition interphases and quantified the extensions of the electrochemical window from the interphases. We also found that the artificial coating layers applied at the solid electrolyte and electrode interfaces have a similar effect of passivating the solid electrolyte. Our newly gained understanding provided general principles for developing solid electrolyte materials with enhanced stability and for engineering interfaces in all-solid-state Li-ion batteries.« less

Visual Design Principles: An Empirical Study of Design Lore

ERIC Educational Resources Information Center

Kimball, Miles A.

2013-01-01

Many books, designers, and design educators talk about visual design principles such as balance, contrast, and alignment, but with little consistency. This study uses empirical methods to explore the lore surrounding design principles. The study took the form of two stages: a quantitative literature review to determine what design principles are…

The Effect of Prosthetic Socket Interface Design on Socket Comfort, Residual Limb Health, and Function for the Transfemoral Amputee

DTIC Science & Technology

2017-10-01

significantly lower trim lines, without ischial containment compared with a traditional interface. However, these alternative designs could compromise...overall function compared to the standard of care interface design . Therefore the focus of this clinical trial is to determine if the DS and Sub-I...alternative interface designs will improve socket comfort, residual limb health and function compared to the standard of care IRC interface design . 15

Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C60: Theory and Experiment.

PubMed

Sai, Na; Gearba, Raluca; Dolocan, Andrei; Tritsch, John R; Chan, Wai-Lun; Chelikowsky, James R; Leung, Kevin; Zhu, Xiaoyang

2012-08-16

Interface dipole determines the electronic energy alignment in donor/acceptor interfaces and plays an important role in organic photovoltaics. Here we present a study combining first principles density functional theory (DFT) with ultraviolet photoemission spectroscopy (UPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) to investigate the interface dipole, energy level alignment, and structural properties at the interface between CuPc and C60. DFT finds a sizable interface dipole for the face-on orientation, in quantitative agreement with the UPS measurement, and rules out charge transfer as the origin of the interface dipole. Using TOF-SIMS, we show that the interfacial morphology for the bilayer CuPc/C60 film is characterized by molecular intermixing, containing both the face-on and the edge-on orientation. The complementary experimental and theoretical results provide both insight into the origin of the interface dipole and direct evidence for the effect of interfacial morphology on the interface dipole.

Design and Modelling of a Microfluidic Electro-Lysis Device with Controlling Plates

NASA Technical Reports Server (NTRS)

Jenkins, A.; Chen, C. P.; Spearing, S.; Monaco, L. A.; Steele, A.; Flores, G.

2006-01-01

Many Lab-on-Chip applications require sample pre-treatment systems. Using electric fields to perform cell-lysis in bio-MEMS systems has provided a powerful tool which can be integrated into Lab-on-a-Chip platforms. The major design considerations for electro-lysis devices include optimal geometry and placement of micro-electrodes, cell concentration, flow rates, optimal electric field (e.g. pulsed DC vs. AC), etc. To avoid electrolysis of the flowing solution at the exposed electrode surfaces, magnitudes and the applied voltages and duration of the DC pulse, or the AC frequency of the AC, have to be optimized for a given configuration. Using simulation tools for calculation of electric fields has proved very useful, for exploring alternative configurations and operating conditions for achieving electro cell-lysis. To alleviate the problem associated with low electric fields within the microfluidics channel and the high voltage demand on the contact electrode strips, two "control plates" are added to the microfluidics configuration. The principle of placing the two controlling plate-electrodes is based on the electric fields generated by a combined insulator/dielectric (gladwater) media. Surface charges are established at the insulator/dielectric interface. This paper discusses the effects of this interface charge on the modification of the electric field of the flowing liquid/cell solution.

Design and Modelling of a Microfluidic Electro-Lysis Device with Controlling Plates

NASA Astrophysics Data System (ADS)

Jenkins, A.; Chen, C. P.; Spearing, S.; Monaco, L. A.; Steele, A.; Flores, G.

2006-04-01

Many Lab-on-Chip applications require sample pre-treatment systems. Using electric fields to perform cell lysis in bio-MEMS systems has provided a powerful tool which can be integrated into Lab-on-a- Chip platforms. The major design considerations for electro-lysis devices include optimal geometry and placement of micro-electrodes, cell concentration, flow rates, optimal electric field (e.g. pulsed DC vs. AC), etc. To avoid electrolysis of the flowing solution at the exposed electrode surfaces, magnitudes and the applied voltages and duration of the DC pulse, or the AC frequency of the AC, have to be optimized for a given configuration. Using simulation tools for calculation of electric fields has proved very useful, for exploring alternative configurations and operating conditions for achieving electro cell-lysis. To alleviate the problem associated with low electric fields within the microfluidics channel and the high voltage demand on the contact electrode strips, two ''control plates'' are added to the microfluidics configuration. The principle of placing the two controlling plate-electrodes is based on the electric fields generated by a combined insulator/dielectric (glass/water) media. Surface charges are established at the insulator/dielectric interface. This paper discusses the effects of this interface charge on the modification of the electric field of the flowing liquid/cell solution.

Conceptualization and application of an approach for designing healthcare software interfaces.

PubMed

Kumar, Ajit; Maskara, Reena; Maskara, Sanjeev; Chiang, I-Jen

2014-06-01

The aim of this study is to conceptualize a novel approach, which facilitates us to design prototype interfaces for healthcare software. Concepts and techniques from various disciplines were used to conceptualize an interface design approach named MORTARS (Map Original Rhetorical To Adapted Rhetorical Situation). The concepts and techniques included in this approach are (1) rhetorical situation - a concept of philosophy provided by Bitzer (1968); (2) move analysis - an applied linguistic technique provided by Swales (1990) and Bhatia (1993); (3) interface design guidelines - a cognitive and computer science concept provided by Johnson (2010); (4) usability evaluation instrument - an interface evaluation questionnaire provided by Lund (2001); (5) user modeling via stereotyping - a cognitive and computer science concept provided by Rich (1979). A prototype interface for outpatient clinic software was designed to introduce the underlying concepts of MORTARS. The prototype interface was evaluated by thirty-two medical informaticians. The medical informaticians found the designed prototype interface to be useful (73.3%), easy to use (71.9%), easy to learn (93.1%), and satisfactory (53.2%). MORTARS approach was found to be effective in designing the prototype user interface for the outpatient clinic software. This approach might be further used to design interfaces for various software pertaining to healthcare and other domains. Copyright © 2014 Elsevier Inc. All rights reserved.

Development of the Global Earthquake Model’s neotectonic fault database

USGS Publications Warehouse

Christophersen, Annemarie; Litchfield, Nicola; Berryman, Kelvin; Thomas, Richard; Basili, Roberto; Wallace, Laura; Ries, William; Hayes, Gavin P.; Haller, Kathleen M.; Yoshioka, Toshikazu; Koehler, Richard D.; Clark, Dan; Wolfson-Schwehr, Monica; Boettcher, Margaret S.; Villamor, Pilar; Horspool, Nick; Ornthammarath, Teraphan; Zuñiga, Ramon; Langridge, Robert M.; Stirling, Mark W.; Goded, Tatiana; Costa, Carlos; Yeats, Robert

2015-01-01

The Global Earthquake Model (GEM) aims to develop uniform, openly available, standards, datasets and tools for worldwide seismic risk assessment through global collaboration, transparent communication and adapting state-of-the-art science. GEM Faulted Earth (GFE) is one of GEM’s global hazard module projects. This paper describes GFE’s development of a modern neotectonic fault database and a unique graphical interface for the compilation of new fault data. A key design principle is that of an electronic field notebook for capturing observations a geologist would make about a fault. The database is designed to accommodate abundant as well as sparse fault observations. It features two layers, one for capturing neotectonic faults and fold observations, and the other to calculate potential earthquake fault sources from the observations. In order to test the flexibility of the database structure and to start a global compilation, five preexisting databases have been uploaded to the first layer and two to the second. In addition, the GFE project has characterised the world’s approximately 55,000 km of subduction interfaces in a globally consistent manner as a basis for generating earthquake event sets for inclusion in earthquake hazard and risk modelling. Following the subduction interface fault schema and including the trace attributes of the GFE database schema, the 2500-km-long frontal thrust fault system of the Himalaya has also been characterised. We propose the database structure to be used widely, so that neotectonic fault data can make a more complete and beneficial contribution to seismic hazard and risk characterisation globally.

Secure Encapsulation and Publication of Biological Services in the Cloud Computing Environment

PubMed Central

Zhang, Weizhe; Wang, Xuehui; Lu, Bo; Kim, Tai-hoon

2013-01-01

Secure encapsulation and publication for bioinformatics software products based on web service are presented, and the basic function of biological information is realized in the cloud computing environment. In the encapsulation phase, the workflow and function of bioinformatics software are conducted, the encapsulation interfaces are designed, and the runtime interaction between users and computers is simulated. In the publication phase, the execution and management mechanisms and principles of the GRAM components are analyzed. The functions such as remote user job submission and job status query are implemented by using the GRAM components. The services of bioinformatics software are published to remote users. Finally the basic prototype system of the biological cloud is achieved. PMID:24078906

Human factors in aviation

NASA Technical Reports Server (NTRS)

Wiener, Earl L. (Editor); Nagel, David C. (Editor)

1988-01-01

The fundamental principles of human-factors (HF) analysis for aviation applications are examined in a collection of reviews by leading experts, with an emphasis on recent developments. The aim is to provide information and guidance to the aviation community outside the HF field itself. Topics addressed include the systems approach to HF, system safety considerations, the human senses in flight, information processing, aviation workloads, group interaction and crew performance, flight training and simulation, human error in aviation operations, and aircrew fatigue and circadian rhythms. Also discussed are pilot control; aviation displays; cockpit automation; HF aspects of software interfaces; the design and integration of cockpit-crew systems; and HF issues for airline pilots, general aviation, helicopters, and ATC.

Secure encapsulation and publication of biological services in the cloud computing environment.

PubMed

Zhang, Weizhe; Wang, Xuehui; Lu, Bo; Kim, Tai-hoon

2013-01-01

Secure encapsulation and publication for bioinformatics software products based on web service are presented, and the basic function of biological information is realized in the cloud computing environment. In the encapsulation phase, the workflow and function of bioinformatics software are conducted, the encapsulation interfaces are designed, and the runtime interaction between users and computers is simulated. In the publication phase, the execution and management mechanisms and principles of the GRAM components are analyzed. The functions such as remote user job submission and job status query are implemented by using the GRAM components. The services of bioinformatics software are published to remote users. Finally the basic prototype system of the biological cloud is achieved.

Opportunities for Merging Chemical and Biological Synthesis

PubMed Central

Wallace, Stephen; Balskus, Emily P.

2014-01-01

Organic chemists and metabolic engineers use largely orthogonal technologies to access small molecules like pharmaceuticals and commodity chemicals. As the use of biological catalysts and engineered organisms for chemical production grows, it is becoming increasingly evident that future efforts for chemical manufacture will benefit from the integration and unified expansion of these two fields. This review will discuss approaches that combine chemical and biological synthesis for small molecule production. We highlight recent advances in combining enzymatic and non-enzymatic catalysis in vitro, discuss the application of design principles from organic chemistry for engineering non-biological reactivity into enzymes, and describe the development of biocompatible chemistry that can be interfaced with microbial metabolism. PMID:24747284

Object-Oriented Programming When Developing Software in Geology and Geophysics

NASA Astrophysics Data System (ADS)

Ahmadulin, R. K.; Bakanovskaya, L. N.

2017-01-01

The paper reviews the role of object-oriented programming when developing software in geology and geophysics. Main stages have been identified at which it is worthwhile to apply principles of object-oriented programming when developing software in geology and geophysics. The research was based on a number of problems solved in Geology and Petroleum Production Institute. Distinctive features of these problems are given and areas of application of the object-oriented approach are identified. Developing applications in the sphere of geology and geophysics has shown that the process of creating such products is simplified due to the use of object-oriented programming, firstly when designing structures for data storage and graphical user interfaces.

GneimoSim: A Modular Internal Coordinates Molecular Dynamics Simulation Package

PubMed Central

Larsen, Adrien B.; Wagner, Jeffrey R.; Kandel, Saugat; Salomon-Ferrer, Romelia; Vaidehi, Nagarajan; Jain, Abhinandan

2014-01-01

The Generalized Newton Euler Inverse Mass Operator (GNEIMO) method is an advanced method for internal coordinates molecular dynamics (ICMD). GNEIMO includes several theoretical and algorithmic advancements that address longstanding challenges with ICMD simulations. In this paper we describe the GneimoSim ICMD software package that implements the GNEIMO method. We believe that GneimoSim is the first software package to include advanced features such as the equipartition principle derived for internal coordinates, and a method for including the Fixman potential to eliminate systematic statistical biases introduced by the use of hard constraints. Moreover, by design, GneimoSim is extensible and can be easily interfaced with third party force field packages for ICMD simulations. Currently, GneimoSim includes interfaces to LAMMPS, OpenMM, Rosetta force field calculation packages. The availability of a comprehensive Python interface to the underlying C++ classes and their methods provides a powerful and versatile mechanism for users to develop simulation scripts to configure the simulation and control the simulation flow. GneimoSim has been used extensively for studying the dynamics of protein structures, refinement of protein homology models, and for simulating large scale protein conformational changes with enhanced sampling methods. GneimoSim is not limited to proteins and can also be used for the simulation of polymeric materials. PMID:25263538

Thermodynamics of fission products in dispersion fuel designs - first principles modeling of defect behavior in bulk and at interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang-yand; Uberuaga, Blas P; Nerikar, Pankaj

2009-01-01

Density functional theory (DFT) calculations of fission product (Xe, Sr, and Cs) incorporation and segregation in alkaline earth metal oxides, HfO{sub 2} and UO{sub 2} oxides, and the MgO/(U, Hf, Ce)O{sub 2} interfaces have been carried out. In the case of UO{sub 2}, the calculations were performed using spin polarization and with a Hubbard U term characterizing the on-sit Coulomb repulsion between the localized 5f electrons. The fission product solution energies in bulk UO{sub 2{+-}x} have been calculated as a function of non-stoichiometry x, and were compared to that in MgO. These calculations demonstrate that the fission product incorporation energiesmore » in MgO are higher than in HfO{sub 2}. However, this trend is reversed or reduced for alkaline earth oxides with larger cation sizes. The solution energies of fission products in MgO are substantially higher than in UO{sub 2{+-}x}, except for the case of Sr in the hypostoichiometric case. Due to size effects, the thermodynamic driving force of segregation for Xe and Cs from bulk MgO to the MgO/fluorite interface is strong. However, this driving force is relatively weak for Sr.« less

A study on the electronic and interfacial structures of monolayer ReS2-metal contacts.

PubMed

Wang, Jin; Yang, Guofeng; Sun, Rui; Yan, Pengfei; Lu, Yanan; Xue, Junjun; Chen, Guoqing

2017-10-11

In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the top-contact formed by the monolayer ReS 2 (mReS 2 ) and metals (gold, silver, platinum, nickel, titanium, and scandium) by means of first-principles density functional theory calculations. We investigate the potential barrier, charge transfer and atomic orbital overlap at the mReS 2 -metal interface in consideration of van der Waals forces to understand how efficiently carriers could be injected from the metal contact to the mReS 2 channel. ReS 2 is physisorbed on Au and Ag, which leads to little perturbation of its electronic structures and forms a larger Schottky contact and a higher tunnel barrier at the interface. ReS 2 is chemisorbed on Ti and Sc, where the bonding strongly perturbs the electronic structures and is found to be purely Ohmic. The bonding of ReS 2 on Pt and Ni lies between these two extreme cases, demonstrating an intermediate behavior. These findings not only provide an insight into the mReS 2 -metal interfaces but may also prove to be instrumental in the future design of ReS 2 -based devices with good performance.

GneimoSim: a modular internal coordinates molecular dynamics simulation package.

PubMed

Larsen, Adrien B; Wagner, Jeffrey R; Kandel, Saugat; Salomon-Ferrer, Romelia; Vaidehi, Nagarajan; Jain, Abhinandan

2014-12-05

The generalized Newton-Euler inverse mass operator (GNEIMO) method is an advanced method for internal coordinates molecular dynamics (ICMD). GNEIMO includes several theoretical and algorithmic advancements that address longstanding challenges with ICMD simulations. In this article, we describe the GneimoSim ICMD software package that implements the GNEIMO method. We believe that GneimoSim is the first software package to include advanced features such as the equipartition principle derived for internal coordinates, and a method for including the Fixman potential to eliminate systematic statistical biases introduced by the use of hard constraints. Moreover, by design, GneimoSim is extensible and can be easily interfaced with third party force field packages for ICMD simulations. Currently, GneimoSim includes interfaces to LAMMPS, OpenMM, and Rosetta force field calculation packages. The availability of a comprehensive Python interface to the underlying C++ classes and their methods provides a powerful and versatile mechanism for users to develop simulation scripts to configure the simulation and control the simulation flow. GneimoSim has been used extensively for studying the dynamics of protein structures, refinement of protein homology models, and for simulating large scale protein conformational changes with enhanced sampling methods. GneimoSim is not limited to proteins and can also be used for the simulation of polymeric materials. © 2014 Wiley Periodicals, Inc.

Development of design principles for automated systems in transport control.

PubMed

Balfe, Nora; Wilson, John R; Sharples, Sarah; Clarke, Theresa

2012-01-01

This article reports the results of a qualitative study investigating attitudes towards and opinions of an advanced automation system currently used in UK rail signalling. In-depth interviews were held with 10 users, key issues associated with automation were identified and the automation's impact on the signalling task investigated. The interview data highlighted the importance of the signallers' understanding of the automation and their (in)ability to predict its outputs. The interviews also covered the methods used by signallers to interact with and control the automation, and the perceived effects on their workload. The results indicate that despite a generally low level of understanding and ability to predict the actions of the automation system, signallers have developed largely successful coping mechanisms that enable them to use the technology effectively. These findings, along with parallel work identifying desirable attributes of automation from the literature in the area, were used to develop 12 principles of automation which can be used to help design new systems which better facilitate cooperative working. The work reported in this article was completed with the active involvement of operational rail staff who regularly use automated systems in rail signalling. The outcomes are currently being used to inform decisions on the extent and type of automation and user interfaces in future generations of rail control systems.

Research on c-HfO2 (0 0 1)/α -Al2O3 (1 -1 0 2) interface in CTM devices based on first principle theory

NASA Astrophysics Data System (ADS)

Lu, Wenjuan; Dai, Yuehua; Wang, Feifei; Yang, Fei; Ma, Chengzhi; Zhang, Xu; Jiang, Xianwei

2017-12-01

With the growing application of high-k dielectrics, the interface between HfO2 and Al2O3 play a crucial role in CTM devices. To clearly understand the interaction of the HfO-AlO interface at the atomic and electronic scale, the bonding feature, electronic properties and charge localized character of c- HfO2 (0 0 1)/α-Al2O3 (1 -1 0 2) interface has been investigated by first principle calculations. The c- HfO2 (0 0 1)/α-Al2O3 (1 -1 0 2) interface has adhesive energy about -1.754 J/m2, suggesting that this interface can exist stably. Through analysis of Bader charge and charge density difference, the intrinsic interfacial gap states are mainly originated from the OII and OIII types oxygen atoms at the interface, and only OIII type oxygen atoms can localized electrons effectively and are provided with good reliability during P/E cycles, which theoretically validate the experimental results that HfO2/Al2O3 multi-layered charge trapping layer can generate more effective traps in memory device. Furthermore, the influence of interfacial gap states during P/E cycles in the defective interface system have also been studied, and the results imply that defective system displays the degradation on the reliability during P/E cycles, while, the charge localized ability of interfacial states is stronger than intrinsic oxygen vacancy in the trapping layer. Besides, these charge localized characters are further explained by the analysis of the density of states correspondingly. In sum, our results compare well with similar experimental observations in other literatures, and the study of the interfacial gap states in this work would facilitate further development of interface passivation.

Introduction to optical methods for characterizing liquid crystals at interfaces.

PubMed

Miller, Daniel S; Carlton, Rebecca J; Mushenheim, Peter C; Abbott, Nicholas L

2013-03-12

This Instructional Review describes methods and underlying principles that can be used to characterize both the orientations assumed spontaneously by liquid crystals (LCs) at interfaces and the strength with which the LCs are held in those orientations (so-called anchoring energies). The application of these methods to several different classes of LC interfaces is described, including solid and aqueous interfaces as well as planar and nonplanar interfaces (such as those that define a LC-in-water emulsion droplet). These methods, which enable fundamental studies of the ordering of LCs at polymeric, chemically functionalized, and biomolecular interfaces, are described in this Instructional Review on a level that can be easily understood by a nonexpert reader such as an undergraduate or graduate student. We focus on optical methods because they are based on instrumentation that is found widely in research and teaching laboratories.

An Exploratory Review of Design Principles in Constructivist Gaming Learning Environments

ERIC Educational Resources Information Center

Rosario, Roberto A. Munoz; Widmeyer, George R.

2009-01-01

Creating a design theory for Constructivist Gaming Learning Environment necessitates, among other things, the establishment of design principles. These principles have the potential to help designers produce games, where users achieve higher levels of learning. This paper focuses on twelve design principles: Probing, Distributed, Multiple Routes,…

Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.

PubMed

Nazir, Safdar; Cheng, Jianli; Yang, Kesong

2016-01-13

We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electronic structure calculations. By modeling four types of CZO/STO HS-based slab systems, i.e., TiO2/CaO and SrO/ZrO2 interface models with CaO and ZrO2 surface terminations in each model separately, we found that the lattice-mismatch-induced compressive strain leads to a strong polarization in the CZO film and that as the CZO film thickness increases there exists an insulator-to-metal transition. The polarization direction and critical thickness of the CZO film for forming interfacial metallic states depend on the surface termination of CZO film in both types of interface models. In the TiO2/CaO and SrO/ZrO2 interface models with CaO surface termination, the strong polarization drives the charge transfer from the CZO film to the first few TiO2 layers in the STO substrate, leading to the formation of two-dimensional electron gas (2DEG) at the interface. In the HS models with ZrO2 surface termination, two polarization domains with opposite directions are in the CZO film, which results in the charge transfer from the middle CZO layer to the interface and surface, respectively, leading to the coexistence of the 2DEG on the interface and the two-dimensional hole gas (2DHG) at the middle CZO layer. These findings open a new avenue to achieve 2DEG (2DHG) in perovskite-based HS systems via polarization discontinuity.

First-Principles Approach to Energy Level Alignment at Aqueous Semiconductor Interfaces

NASA Astrophysics Data System (ADS)

Hybertsen, Mark

2015-03-01

We have developed a first principles method to calculate the energy level alignment between semiconductor band edges and reference energy levels at aqueous interfaces. This alignment is fundamental to understand the electrochemical characteristics of any semiconductor electrode in general and the potential for photocatalytic activity in particular. For example, in the search for new photo-catalytic materials, viable candidates must demonstrate both efficient absorption of the solar spectrum and an appropriate alignment of the band edge levels in the semiconductor to the redox levels for the target reactions. In our approach, the interface-specific contribution to the electrostatic step across the interface is evaluated using density functional theory (DFT) based molecular dynamics to sample the physical interface structure and the corresponding change in the electrostatic potential at the interface. The reference electronic levels in the semiconductor and in the water are calculated using the GW approach, which naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. Taken together, our calculations provide the alignment of the semiconductor valence band edge to the centroid of the highest occupied 1b1 level in water. The known relationship of the 1b1 level to the normal hydrogen electrode completes the connection to electrochemical levels. We discuss specific results for GaN, ZnO, and TiO2. The effect of interface structural motifs, such as different degrees of water dissociation, and of dynamical characteristics, will be presented together with available experimental data. Work supported by the US Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886.

Use of Research Interfaces for Psychophysical Studies With Cochlear-Implant Users

PubMed Central

Goupell, Matthew J.; Kan, Alan; Landsberger, David M.

2017-01-01

A growing number of laboratories are using research interfaces to conduct experiments with cochlear-implant (CI) users. Because these interfaces bypass a subject’s clinical sound processor, several concerns exist regarding safety and stimulation levels. Here we suggest best-practice approaches for how to safely and ethically perform this type of research and highlight areas of limited knowledge where further research is needed to help clarify safety limits. The article is designed to provide an introductory level of technical detail about the devices and the effects of electrical stimulation on perception and neurophysiology. From this, we summarize what should be the best practices in the field, based on the literature and our experience. Findings from the review of the literature suggest that there are three main safety concerns: (a) to prevent biological or neural damage, (b) to avoid presentation of uncomfortably loud sounds, and (c) to ensure that subjects have control over stimulus presentation. Researchers must pay close attention to the software–hardware interface to ensure that the three main safety concerns are closely monitored. An important area for future research will be the determination of the amount of biological damage that can occur from electrical stimulation from a CI placed in the cochlea, not in direct contact with neural tissue. As technology used in research with CIs evolve, some of these approaches may change. However, the three main safety principles outlined here are not anticipated to undergo change with technological advances. PMID:29113579

Designing and maintaining an effective chargemaster.

PubMed

Abbey, D C

2001-03-01

The chargemaster is the central repository of charges and associated coding information used to develop claims. But this simple description belies the chargemaster's true complexity. The chargemaster's role in the coding process differs from department to department, and not all codes provided on a claim form are necessarily included in the chargemaster, as codes for complex services may need to be developed and reviewed by coding staff. In addition, with the rise of managed care, the chargemaster increasingly is being used to track utilization of supplies and services. To ensure that the chargemaster performs all of its functions effectively, hospitals should appoint a chargemaster coordinator, supported by a chargemaster review team, to oversee the design and maintenance of the chargemaster. Important design issues that should be considered include the principle of "form follows function," static versus dynamic coding, how modifiers should be treated, how charges should be developed, how to incorporate physician fee schedules into the chargemaster, the interface between the chargemaster and cost reports, and how to include statistical information for tracking utilization.

Planar and finger-shaped optical tactile sensors for robotic applications

NASA Technical Reports Server (NTRS)

Begej, Stefan

1988-01-01

Progress is described regarding the development of optical tactile sensors specifically designed for application to dexterous robotics. These sensors operate on optical principles involving the frustration of total internal reflection at a waveguide/elastomer interface and produce a grey-scale tactile image that represents the normal (vertical) forces of contact. The first tactile sensor discussed is a compact, 32 x 32 planar sensor array intended for mounting on a parallel-jaw gripper. Optical fibers were employed to convey the tactile image to a CCD camera and microprocessor-based image analysis system. The second sensor had the shape and size of a human fingertip and was designed for a dexterous robotic hand. It contained 256 sensing sites (taxels) distributed in a dual-density pattern that included a tactile fovea near the tip measuring 13 x 13 mm and containing 169 taxels. The design and construction details of these tactile sensors are presented, in addition to photographs of tactile imprints.

Usability evaluation of Laboratory and Radiology Information Systems integrated into a hospital information system.

PubMed

Nabovati, Ehsan; Vakili-Arki, Hasan; Eslami, Saeid; Khajouei, Reza

2014-04-01

This study was conducted to evaluate the usability of widely used laboratory and radiology information systems. Three usability experts independently evaluated the user interfaces of Laboratory and Radiology Information Systems using heuristic evaluation method. They applied Nielsen's heuristics to identify and classify usability problems and Nielsen's severity rating to judge their severity. Overall, 116 unique heuristic violations were identified as usability problems. In terms of severity, 67 % of problems were rated as major and catastrophic. Among 10 heuristics, "consistency and standards" was violated most frequently. Moreover, mean severity of problems concerning "error prevention" and "help and documentation" heuristics was higher than of the others. Despite widespread use of specific healthcare information systems, they suffer from usability problems. Improving the usability of systems by following existing design standards and principles from the early phased of system development life cycle is recommended. Especially, it is recommended that the designers design systems that inhibit the initiation of erroneous actions and provide sufficient guidance to users.

Second Life for Distance Language Learning: A Framework for Native/Non-Native Speaker Interactions in a Virtual World

ERIC Educational Resources Information Center

Tusing, Jennifer; Berge, Zane L.

2010-01-01

This paper examines a number of theoretical principles governing second language teaching and learning and the ways in which these principles are being applied in 3D virtual worlds such as Second Life. Also examined are the benefits to language learning afforded by the Second Life interface, including access, the availability of native speakers of…

The principle of low frictional torque in the Charnley total hip replacement.

PubMed

Wroblewski, B M; Siney, P D; Fleming, P A

2009-07-01

The design of the Charnley total hip replacement follows the principle of low frictional torque. It is based on the largest possible difference between the radius of the femoral head and that of the outer aspect of the acetabular component. The aim is to protect the bone-cement interface by movement taking place at the smaller radius, the articulation. This is achieved in clinical practice by a 22.225 mm diameter head articulating with a 40 mm or 43 mm diameter acetabular component of ultra-high molecular weight polyethylene. We compared the incidence of aseptic loosening of acetabular components with an outer diameter of 40 mm and 43 mm at comparable depths of penetration with a mean follow-up of 17 years (1 to 40). In cases with no measurable wear none of the acetabular components were loose. With increasing acetabular penetration there was an increased incidence of aseptic loosening which reflected the difference in the external radii, with 1.5% at 1 mm, 8.8% at 2 mm, 9.7% at 3 mm and 9.6% at 4 mm of penetration in favour of the larger 43 mm acetabular component. Our findings support the Charnley principle of low frictional torque. The level of the benefit is in keeping with the predicted values.

Slippery interfaces: lubrication of director and helix rotation motions (Conference Presentation)

NASA Astrophysics Data System (ADS)

Yamamoto, Jun; Sakatsuji, Waki; Nishiyama, Isa

2017-02-01

Anchoring effects on the polymer films in the liquid crystal (LC) display devices plays key role to create the restoring force to the black state. However, the chiral materials with spontaneous helix, such as deformed helix mode in SmC* (DH-FLC) or the polymer stabilized blue phase (PSChBP), can recover black state by rewinding motion of the helix itself. We have invented the principle and design of slippery interfaces, which has zero anchoring force for attached LC molecules on the interfaces, and confirmed the drastic reduction of driving voltage in DH-FLC mode of SmC* (<1 order) keeping the fast switching response (tau 50 micro sec). We have reported the lateral slippery interfaces consist of the phase separated liquid phases created by tran-cis isomerization of doped azo dye. It is not enough to the complete transmission of the light(I/I0 1) by applying the typical driving voltage ( 1.0V/micro m) for current IPS panels. It is also problem that slippery interface become effective only just below the I-SmC phase transition temperature (TIC-T<20°). Here, we report new type of the vertical slippery interface realized by the spin coated swollen azo-LC gel films on the glass substrates. Under UV irradiation, trans-cis isomerization of the azo-dye co-polymerized in the azo-LC gel film, induces the vertical slippery interfaces by the disordering effect. Since the co-polymerized azo-dye cannot be dissolved into LC, the disordering effect is completely localized in the interface between swollen azo-LC gel and bulk SmC* material. Then the slippery interfaces can be stabilized over wide temperature range. We greatly improve the reduction of the driving voltage, I/Io=1, 1.0V/micro m for rather slow change of the driving voltage (tau 1msec 2.5msec pulse), I/I0=0.6, 1.5V/micro m for fast change (tau 50 micro sec, 250 micro sec pulse) by lubrication of intra and inter helix C-director rotation motions.

Hierarchy of on-orbit servicing interfaces

NASA Technical Reports Server (NTRS)

Moe, Rud V.

1989-01-01

A series of equipment interfaces is involved in on-orbit servicing operations. The end-to-end hierarchy of servicing interfaces is presented. The interface concepts presented include structure and handling, and formats for transfer of resources (power, data, fluids, etc.). Consequences on cost, performance, and service ability of the use of standard designs or unique designs with interface adapters are discussed. Implications of the interface designs compatibility with remote servicing using telerobotic servicers are discussed.

Specification and design of a Therapy Imaging and Model Management System (TIMMS)

NASA Astrophysics Data System (ADS)

Lemke, Heinz U.; Berliner, Leonard

2007-03-01

Appropriate use of Information and Communication Technology (ICT) and Mechatronic (MT) systems is considered by many experts as a significant contribution to improve workflow and quality of care in the Operating Room (OR). This will require a suitable IT infrastructure as well as communication and interface standards, such as DICOM and suitable extensions, to allow data interchange between surgical system components in the OR. A conceptual design of such an infrastructure, i.e. a Therapy Imaging and Model Management System (TIMMS) will be introduced in this paper. A TIMMS should support the essential functions that enable and advance image, and in particular, patient model guided therapy. Within this concept, the image centric world view of the classical PACS technology is complemented by an IT model-centric world view. Such a view is founded in the special modelling needs of an increasing number of modern surgical interventions as compared to the imaging intensive working mode of diagnostic radiology, for which PACS was originally conceptualised and developed. A proper design of a TIMMS, taking into account modern software engineering principles, such as service oriented architecture, will clarify the right position of interfaces and relevant standards for a Surgical Assist System (SAS) in general and their components specifically. Such a system needs to be designed to provide a highly modular structure. Modules may be defined on different granulation levels. A first list of components (e.g. high and low level modules) comprising engines and repositories of an SAS, which should be integrated by a TIMMS, will be introduced in this paper.

Planar differential mobility spectrometer as a pre-filter for atmospheric pressure ionization mass spectrometry

PubMed Central

Schneider, Bradley B.; Covey, Thomas R.; Coy, Stephen L.; Krylov, Evgeny V.

2010-01-01

Ion filters based on planar DMS can be integrated with the inlet configuration of most mass spectrometers, and are able to enhance the quality of mass analysis and quantitative accuracy by reducing chemical noise, and by pre-separating ions of similar mass. This paper is the first in a series of three papers describing the optimization of DMS / MS instrumentation. In this paper the important physical parameters of a planar DMS-MS interface including analyzer geometry, analyzer coupling to a mass spectrometer, and transport gas flow control are considered. The goal is to optimize ion transmission and transport efficiency, provide optimal and adjustable resolution, and produce stable operation under conditions of high sample contamination. We discuss the principles of DMS separations and highlight the theoretical underpinnings. The main differences between planar and cylindrical geometries are presented, including a discussion of the advantages and disadvantages of RF ion focusing. In addition, we present a description of optimization of the frequency and amplitude of the DMS fields for resolution and ion transmission, and a discussion of the influence and importance of ion residence time in DMS. We have constructed a mass spectrometer interface for planar geometries that takes advantage of atmospheric pressure gas dynamic principles, rather than ion focusing, to minimize ion losses from diffusion in the analyzer and to maximize total ion transport into the mass spectrometer. A variety of experimental results has been obtained that illustrate the performance of this type of interface, including tests of resistance to high contamination levels, and the separation of stereoisomers. In a subsequent publication the control of the chemical interactions that drive the separation process of a DMS / MS system will be considered. In a third publication we describe novel electronics designed to provide the high voltages asymmetric waveform fields (SV) required for these devices as well as the effects of different waveforms. PMID:21278836

Variational formulation of hybrid problems for fully 3-D transonic flow with shocks in rotor

NASA Technical Reports Server (NTRS)

Liu, Gao-Lian

1991-01-01

Based on previous research, the unified variable domain variational theory of hybrid problems for rotor flow is extended to fully 3-D transonic rotor flow with shocks, unifying and generalizing the direct and inverse problems. Three variational principles (VP) families were established. All unknown boundaries and flow discontinuities (such as shocks, free trailing vortex sheets) are successfully handled via functional variations with variable domain, converting almost all boundary and interface conditions, including the Rankine Hugoniot shock relations, into natural ones. This theory provides a series of novel ways for blade design or modification and a rigorous theoretical basis for finite element applications and also constitutes an important part of the optimal design theory of rotor bladings. Numerical solutions to subsonic flow by finite elements with self-adapting nodes given in Refs., show good agreement with experimental results.

Physical Chemistry of Nanomedicine: Understanding the Complex Behaviors of Nanoparticles in Vivo

NASA Astrophysics Data System (ADS)

Lane, Lucas A.; Qian, Ximei; Smith, Andrew M.; Nie, Shuming

2015-04-01

Nanomedicine is an interdisciplinary field of research at the interface of science, engineering, and medicine, with broad clinical applications ranging from molecular imaging to medical diagnostics, targeted therapy, and image-guided surgery. Despite major advances during the past 20 years, there are still major fundamental and technical barriers that need to be understood and overcome. In particular, the complex behaviors of nanoparticles under physiological conditions are poorly understood, and detailed kinetic and thermodynamic principles are still not available to guide the rational design and development of nanoparticle agents. Here we discuss the interactions of nanoparticles with proteins, cells, tissues, and organs from a quantitative physical chemistry point of view. We also discuss insights and strategies on how to minimize nonspecific protein binding, how to design multistage and activatable nanostructures for improved drug delivery, and how to use the enhanced permeability and retention effect to deliver imaging agents for image-guided cancer surgery.

Telescope Array Control System Based on Wireless Touch Screen Platform

NASA Astrophysics Data System (ADS)

Fu, X. N.; Huang, L.; Wei, J. Y.

2016-07-01

GWAC (Ground-based Wide Angle Cameras) are the ground-based observational instruments of the Sino-French cooperation SVOM (Space Variable Objects Monitor) astronomical satellite, and Mini-GWAC is a pathfinder and supplement of GWAC. In the context of the Mini-GWAC telescope array, this paper introduces the design and implementation of a kind of telescope array control system, which is based on wireless serial interface module to communicate. We describe the development and implementation of the system in detail in terms of control system principle, system hardware structure, software design, experiment, and test. The system uses the touch-control PC which is based on the Windows CE system as the upper-computer, the wireless transceiver module and PLC (Programmable Logic Controller) as the core. It has the advantages of low cost, reliable data transmission, and simple operation. So far, the control system has been applied to Mini-GWAC successfully.

Enhanced Dynamics of Hydrated tRNA on Nanodiamond Surfaces: A Combined Neutron Scattering and MD Simulation Study.

PubMed

Dhindsa, Gurpreet K; Bhowmik, Debsindhu; Goswami, Monojoy; O'Neill, Hugh; Mamontov, Eugene; Sumpter, Bobby G; Hong, Liang; Ganesh, Panchapakesan; Chu, Xiang-Qiang

2016-09-14

Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. Our new findings may provide new design principles for safer, improved drug delivery platforms.

Improving Patients Experience in Peadiatric Emergency Waiting Room.

PubMed

Ehrler, Frederic; Siebert, Johan; Wipfli, Rolf; Duret, Cyrille; Gervaix, Alain; Lovis, Christian

2016-01-01

When visiting the emergency department, the perception of the time spent in the waiting room before the beginning of the care, may influence patients' experience. Based on models of service evaluation, highlighting the importance of informing people about their waiting process and their place in the queue, we have developed an innovative information screen aiming at improving perception of time by patients. Following an iterative process, a group of experts including computer scientists, ergonomists and caregivers designed a solution adapted to the pediatric context. The solution includes a screen displaying five lanes representing triage levels. Patients are represented by individual avatars, drawn sequentially in the appropriate line. The interface has been designed using gamification principle, aiming at increasing acceptance, lowering learning curve and improving satisfaction. Questionnaire based evaluation results revealed high satisfaction from the 278 respondents even if the informative content was not always completely clear.

Component Framework for Loosely Coupled High Performance Integrated Plasma Simulations

NASA Astrophysics Data System (ADS)

Elwasif, W. R.; Bernholdt, D. E.; Shet, A. G.; Batchelor, D. B.; Foley, S.

2010-11-01

We present the design and implementation of a component-based simulation framework for the execution of coupled time-dependent plasma modeling codes. The Integrated Plasma Simulator (IPS) provides a flexible lightweight component model that streamlines the integration of stand alone codes into coupled simulations. Standalone codes are adapted to the IPS component interface specification using a thin wrapping layer implemented in the Python programming language. The framework provides services for inter-component method invocation, configuration, task, and data management, asynchronous event management, simulation monitoring, and checkpoint/restart capabilities. Services are invoked, as needed, by the computational components to coordinate the execution of different aspects of coupled simulations on Massive parallel Processing (MPP) machines. A common plasma state layer serves as the foundation for inter-component, file-based data exchange. The IPS design principles, implementation details, and execution model will be presented, along with an overview of several use cases.

Final Report: Rational Design of Wide Band Gap Buffer Layers for High-Efficiency Thin-Film Photovoltaics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lordi, Vincenzo

The main objective of this project is to enable rational design of wide band gap buffer layer materials for CIGS thin-film PV by building understanding of the correlation of atomic-scale defects in the buffer layer and at the buffer/absorber interface with device electrical properties. Optimized wide band gap buffers are needed to reduce efficiency loss from parasitic absorption in the buffer. The approach uses first-principles materials simulations coupled with nanoscale analytical electron microscopy as well as device electrical characterization. Materials and devices are produced by an industrial partner in a manufacturing line to maximize relevance, with the goal of enablingmore » R&D of new buffer layer compositions or deposition processes to push device efficiencies above 21%. Cadmium sulfide (CdS) is the reference material for analysis, as the prototypical high-performing buffer material.« less

Real-time Simulation of Turboprop Engine Control System

NASA Astrophysics Data System (ADS)

Sheng, Hanlin; Zhang, Tianhong; Zhang, Yi

2017-05-01

On account of the complexity of turboprop engine control system, real-time simulation is the technology, under the prerequisite of maintaining real-time, to effectively reduce development cost, shorten development cycle and avert testing risks. The paper takes RT-LAB as a platform and studies the real-time digital simulation of turboprop engine control system. The architecture, work principles and external interfaces of RT-LAB real-time simulation platform are introduced firstly. Then based on a turboprop engine model, the control laws of propeller control loop and fuel control loop are studied. From that and on the basis of Matlab/Simulink, an integrated controller is designed which can realize the entire process control of the engine from start-up to maximum power till stop. At the end, on the basis of RT-LAB platform, the real-time digital simulation of the designed control system is studied, different regulating plans are tried and more ideal control effects have been obtained.

Telerobotic system performance measurement - Motivation and methods

NASA Technical Reports Server (NTRS)

Kondraske, George V.; Khoury, George J.

1992-01-01

A systems performance-based strategy for modeling and conducting experiments relevant to the design and performance characterization of telerobotic systems is described. A developmental testbed consisting of a distributed telerobotics network and initial efforts to implement the strategy described is presented. Consideration is given to the general systems performance theory (GSPT) to tackle human performance problems as a basis for: measurement of overall telerobotic system (TRS) performance; task decomposition; development of a generic TRS model; and the characterization of performance of subsystems comprising the generic model. GSPT employs a resource construct to model performance and resource economic principles to govern the interface of systems to tasks. It provides a comprehensive modeling/measurement strategy applicable to complex systems including both human and artificial components. Application is presented within the framework of a distributed telerobotics network as a testbed. Insight into the design of test protocols which elicit application-independent data is described.

Designing a SCADA system simulator for fast breeder reactor

NASA Astrophysics Data System (ADS)

Nugraha, E.; Abdullah, A. G.; Hakim, D. L.

2016-04-01

SCADA (Supervisory Control and Data Acquisition) system simulator is a Human Machine Interface-based software that is able to visualize the process of a plant. This study describes the results of the process of designing a SCADA system simulator that aims to facilitate the operator in monitoring, controlling, handling the alarm, accessing historical data and historical trend in Nuclear Power Plant (NPP) type Fast Breeder Reactor (FBR). This research used simulation to simulate NPP type FBR Kalpakkam in India. This simulator was developed using Wonderware Intouch software 10 and is equipped with main menu, plant overview, area graphics, control display, set point display, alarm system, real-time trending, historical trending and security system. This simulator can properly simulate the principle of energy flow and energy conversion process on NPP type FBR. This SCADA system simulator can be used as training media for NPP type FBR prospective operators.

Structural principles within the human-virus protein-protein interaction network

PubMed Central

Franzosa, Eric A.; Xia, Yu

2011-01-01

General properties of the antagonistic biomolecular interactions between viruses and their hosts (exogenous interactions) remain poorly understood, and may differ significantly from known principles governing the cooperative interactions within the host (endogenous interactions). Systems biology approaches have been applied to study the combined interaction networks of virus and human proteins, but such efforts have so far revealed only low-resolution patterns of host-virus interaction. Here, we layer curated and predicted 3D structural models of human-virus and human-human protein complexes on top of traditional interaction networks to reconstruct the human-virus structural interaction network. This approach reveals atomic resolution, mechanistic patterns of host-virus interaction, and facilitates systematic comparison with the host’s endogenous interactions. We find that exogenous interfaces tend to overlap with and mimic endogenous interfaces, thereby competing with endogenous binding partners. The endogenous interfaces mimicked by viral proteins tend to participate in multiple endogenous interactions which are transient and regulatory in nature. While interface overlap in the endogenous network results largely from gene duplication followed by divergent evolution, viral proteins frequently achieve interface mimicry without any sequence or structural similarity to an endogenous binding partner. Finally, while endogenous interfaces tend to evolve more slowly than the rest of the protein surface, exogenous interfaces—including many sites of endogenous-exogenous overlap—tend to evolve faster, consistent with an evolutionary “arms race” between host and pathogen. These significant biophysical, functional, and evolutionary differences between host-pathogen and within-host protein-protein interactions highlight the distinct consequences of antagonism versus cooperation in biological networks. PMID:21680884

Anomalously deep polarization in SrTiO3 (001) interfaced with an epitaxial ultrathin manganite film

DOE PAGES

Wang, Zhen; Tao, Jing; Yu, Liping; ...

2016-10-17

Using atomically-resolved imaging and spectroscopy, we reveal a remarkably deep polarization in non-ferroelectric SrTiO 3 near its interface with an ultrathin nonmetallic film of La 2/3Sr 1/3MnO 3. Electron holography shows an electric field near the interface in SrTiO 3, yielding a surprising spontaneous polarization density of ~ 21 μC/cm 2. Combining the experimental results with first principles calculations, we propose that the observed deep polarization is induced by the electric field originating from oxygen vacancies that extend beyond a dozen unit-cells from the interface, thus providing important evidence of the role of defects in the emergent interface properties ofmore » transition metal oxides.« less

A first principles study of commonly observed planar defects in Ti/TiB system

DOE PAGES

Nandwana, Peeyush; Gupta, Niraj; Srinivasan, Srivilliputhur G.; ...

2018-04-20

Here, TiB exhibits a hexagonal cross-section with growth faults on (1 0 0) planes and contains B27-B f bicrystals. The hexagonal cross-section is presently explained by surface free energy minimization principle. We show that interfacial energy calculations explain the longer (1 0 0) facet compared to (1 0 1) type facets whereas free surface energy arguments do not provide the true picture. No quantitative explanation of stacking faults and B27-B f interfaces in TiB exists. We show that the low formation energy of stacking faults and B27-B f interfaces explain their abundance. The low energy barrier for B f formationmore » is shown to be responsible for their presence in TiB.« less

A first principles study of commonly observed planar defects in Ti/TiB system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandwana, Peeyush; Gupta, Niraj; Srinivasan, Srivilliputhur G.

Here, TiB exhibits a hexagonal cross-section with growth faults on (1 0 0) planes and contains B27-B f bicrystals. The hexagonal cross-section is presently explained by surface free energy minimization principle. We show that interfacial energy calculations explain the longer (1 0 0) facet compared to (1 0 1) type facets whereas free surface energy arguments do not provide the true picture. No quantitative explanation of stacking faults and B27-B f interfaces in TiB exists. We show that the low formation energy of stacking faults and B27-B f interfaces explain their abundance. The low energy barrier for B f formationmore » is shown to be responsible for their presence in TiB.« less

An operator interface design for a telerobotic inspection system

NASA Technical Reports Server (NTRS)

Kim, Won S.; Tso, Kam S.; Hayati, Samad

1993-01-01

The operator interface has recently emerged as an important element for efficient and safe interactions between human operators and telerobotics. Advances in graphical user interface and graphics technologies enable us to produce very efficient operator interface designs. This paper describes an efficient graphical operator interface design newly developed for remote surface inspection at NASA-JPL. The interface, designed so that remote surface inspection can be performed by a single operator with an integrated robot control and image inspection capability, supports three inspection strategies of teleoperated human visual inspection, human visual inspection with automated scanning, and machine-vision-based automated inspection.

Active holographic interconnects for interfacing volume storage

NASA Astrophysics Data System (ADS)

Domash, Lawrence H.; Schwartz, Jay R.; Nelson, Arthur R.; Levin, Philip S.

1992-04-01

In order to achieve the promise of terabit/cm3 data storage capacity for volume holographic optical memory, two technological challenges must be met. Satisfactory storage materials must be developed and the input/output architectures able to match their capacity with corresponding data access rates must also be designed. To date the materials problem has received more attention than devices and architectures for access and addressing. Two philosophies of parallel data access to 3-D storage have been discussed. The bit-oriented approach, represented by recent work on two-photon memories, attempts to store bits at local sites within a volume without affecting neighboring bits. High speed acousto-optic or electro- optic scanners together with dynamically focused lenses not presently available would be required. The second philosophy is that volume optical storage is essentially holographic in nature, and that each data write or read is to be distributed throughout the material volume on the basis of angle multiplexing or other schemes consistent with the principles of holography. The requirements for free space optical interconnects for digital computers and fiber optic network switching interfaces are also closely related to this class of devices. Interconnects, beamlet generators, angle multiplexers, scanners, fiber optic switches, and dynamic lenses are all devices which may be implemented by holographic or microdiffractive devices of various kinds, which we shall refer to collectively as holographic interconnect devices. At present, holographic interconnect devices are either fixed holograms or spatial light modulators. Optically or computer generated holograms (submicron resolution, 2-D or 3-D, encoding 1013 bits, nearly 100 diffraction efficiency) can implement sophisticated mathematical design principles, but of course once fabricated they cannot be changed. Spatial light modulators offer high speed programmability but have limited resolution (512 X 512 pixels, encoding about 106 bits of data) and limited diffraction efficiency. For any application, one must choose between high diffractive performance and programmability.

Fire risk in the road landscape patterns of the state of Paraná, Brazil - planning grants for the wildland-urban interface

Treesearch

Daniela Biondi; Antonio Carlos Batista; Angeline Martini

2013-01-01

Urban growth worldwide has generated great concern in the planning of the different environments belonging to the wildland-urban interface. One of the problems that arise is the landscape treatment given to roads, which must not only comply with aesthetic and ecological principles, but also be functional, adding functions relating to forest fire prevention and control...

Pseudopotential Computations for Metal/Alumina Interfaces

NASA Astrophysics Data System (ADS)

Zhang, Wenqing

2003-03-01

Metal/alumina interfaces are found, for example, in electronic devices, as thermal barrier coatings in gas turbines, and in coatings to inhibit corrosion and wear. Of particular importance to their performance is their adhesion. Ultrasoft pseudopotentials combined with plane wave methods and density-functional theory have been employed to compute the properties of these relatively complex interfaces, including effects of impurity segregation. Interfacial stoichiometry and impurity content affect interfacial properties importantly. Thermodynamic links between our first principles results and metallurgical variables such as oxygen activity and oxygen partial pressure are established. This allows for a comparison between theoretical predictions and experimental measurements. Good agreement is obtained for predicted interfacial variables such as atomic structure and adhesive bond strengths on comparison with results of sessile drop, fracture, and other experiments on interfaces of Ni, Cu, Al, and Ag with alumina [1-3], including effects of water and sulfur interfacial impurities. Understanding of the nature of the adhesive bonding at the atomic level is obtained by the pseudopotential first principles approach. [1] W.Zhang, and J.R.Smith, and A.G.Evans, Acta Mater., 50,3803(2002). [2] W.Zhang, and J.R.Smith, Phys. Rev. Lett. 85, 3225(2000). [3] W.Zhang, and J.R.Smith, Phys. Rev. B61, 16883(2000).

SOME NEW FINITE DIFFERENCE METHODS FOR HELMHOLTZ EQUATIONS ON IRREGULAR DOMAINS OR WITH INTERFACES

PubMed Central

Wan, Xiaohai; Li, Zhilin

2012-01-01

Solving a Helmholtz equation Δu + λu = f efficiently is a challenge for many applications. For example, the core part of many efficient solvers for the incompressible Navier-Stokes equations is to solve one or several Helmholtz equations. In this paper, two new finite difference methods are proposed for solving Helmholtz equations on irregular domains, or with interfaces. For Helmholtz equations on irregular domains, the accuracy of the numerical solution obtained using the existing augmented immersed interface method (AIIM) may deteriorate when the magnitude of λ is large. In our new method, we use a level set function to extend the source term and the PDE to a larger domain before we apply the AIIM. For Helmholtz equations with interfaces, a new maximum principle preserving finite difference method is developed. The new method still uses the standard five-point stencil with modifications of the finite difference scheme at irregular grid points. The resulting coefficient matrix of the linear system of finite difference equations satisfies the sign property of the discrete maximum principle and can be solved efficiently using a multigrid solver. The finite difference method is also extended to handle temporal discretized equations where the solution coefficient λ is inversely proportional to the mesh size. PMID:22701346

SOME NEW FINITE DIFFERENCE METHODS FOR HELMHOLTZ EQUATIONS ON IRREGULAR DOMAINS OR WITH INTERFACES.

PubMed

Wan, Xiaohai; Li, Zhilin

2012-06-01

Solving a Helmholtz equation Δu + λu = f efficiently is a challenge for many applications. For example, the core part of many efficient solvers for the incompressible Navier-Stokes equations is to solve one or several Helmholtz equations. In this paper, two new finite difference methods are proposed for solving Helmholtz equations on irregular domains, or with interfaces. For Helmholtz equations on irregular domains, the accuracy of the numerical solution obtained using the existing augmented immersed interface method (AIIM) may deteriorate when the magnitude of λ is large. In our new method, we use a level set function to extend the source term and the PDE to a larger domain before we apply the AIIM. For Helmholtz equations with interfaces, a new maximum principle preserving finite difference method is developed. The new method still uses the standard five-point stencil with modifications of the finite difference scheme at irregular grid points. The resulting coefficient matrix of the linear system of finite difference equations satisfies the sign property of the discrete maximum principle and can be solved efficiently using a multigrid solver. The finite difference method is also extended to handle temporal discretized equations where the solution coefficient λ is inversely proportional to the mesh size.

Visual design for the user interface, Part 1: Design fundamentals.

PubMed

Lynch, P J

1994-01-01

Digital audiovisual media and computer-based documents will be the dominant forms of professional communication in both clinical medicine and the biomedical sciences. The design of highly interactive multimedia systems will shortly become a major activity for biocommunications professionals. The problems of human-computer interface design are intimately linked with graphic design for multimedia presentations and on-line document systems. This article outlines the history of graphic interface design and the theories that have influenced the development of today's major graphic user interfaces.

The image-guided surgery toolkit IGSTK: an open source C++ software toolkit.

PubMed

Enquobahrie, Andinet; Cheng, Patrick; Gary, Kevin; Ibanez, Luis; Gobbi, David; Lindseth, Frank; Yaniv, Ziv; Aylward, Stephen; Jomier, Julien; Cleary, Kevin

2007-11-01

This paper presents an overview of the image-guided surgery toolkit (IGSTK). IGSTK is an open source C++ software library that provides the basic components needed to develop image-guided surgery applications. It is intended for fast prototyping and development of image-guided surgery applications. The toolkit was developed through a collaboration between academic and industry partners. Because IGSTK was designed for safety-critical applications, the development team has adopted lightweight software processes that emphasizes safety and robustness while, at the same time, supporting geographically separated developers. A software process that is philosophically similar to agile software methods was adopted emphasizing iterative, incremental, and test-driven development principles. The guiding principle in the architecture design of IGSTK is patient safety. The IGSTK team implemented a component-based architecture and used state machine software design methodologies to improve the reliability and safety of the components. Every IGSTK component has a well-defined set of features that are governed by state machines. The state machine ensures that the component is always in a valid state and that all state transitions are valid and meaningful. Realizing that the continued success and viability of an open source toolkit depends on a strong user community, the IGSTK team is following several key strategies to build an active user community. These include maintaining a users and developers' mailing list, providing documentation (application programming interface reference document and book), presenting demonstration applications, and delivering tutorial sessions at relevant scientific conferences.

Active SAmpling Protocol (ASAP) to Optimize Individual Neurocognitive Hypothesis Testing: A BCI-Inspired Dynamic Experimental Design.

PubMed

Sanchez, Gaëtan; Lecaignard, Françoise; Otman, Anatole; Maby, Emmanuel; Mattout, Jérémie

2016-01-01

The relatively young field of Brain-Computer Interfaces has promoted the use of electrophysiology and neuroimaging in real-time. In the meantime, cognitive neuroscience studies, which make extensive use of functional exploration techniques, have evolved toward model-based experiments and fine hypothesis testing protocols. Although these two developments are mostly unrelated, we argue that, brought together, they may trigger an important shift in the way experimental paradigms are being designed, which should prove fruitful to both endeavors. This change simply consists in using real-time neuroimaging in order to optimize advanced neurocognitive hypothesis testing. We refer to this new approach as the instantiation of an Active SAmpling Protocol (ASAP). As opposed to classical (static) experimental protocols, ASAP implements online model comparison, enabling the optimization of design parameters (e.g., stimuli) during the course of data acquisition. This follows the well-known principle of sequential hypothesis testing. What is radically new, however, is our ability to perform online processing of the huge amount of complex data that brain imaging techniques provide. This is all the more relevant at a time when physiological and psychological processes are beginning to be approached using more realistic, generative models which may be difficult to tease apart empirically. Based upon Bayesian inference, ASAP proposes a generic and principled way to optimize experimental design adaptively. In this perspective paper, we summarize the main steps in ASAP. Using synthetic data we illustrate its superiority in selecting the right perceptual model compared to a classical design. Finally, we briefly discuss its future potential for basic and clinical neuroscience as well as some remaining challenges.

Instructional Review: An Introduction to Optical Methods for Characterizing Liquid Crystals at Interfaces

PubMed Central

Miller, Daniel S.; Carlton, Rebecca J.; Mushenheim, Peter C.; Abbott, Nicholas L.

2013-01-01

This Instructional Review describes methods and underlying principles that can be used to characterize both the orientations assumed spontaneously by liquid crystals (LCs) at interfaces and the strength with which the LCs are held in those orientations (so-called anchoring energies). The application of these methods to several different classes of LC interfaces is described, including solid and aqueous interfaces as well as planar and non-planar interfaces (such as those that define a LC-in-water emulsion droplet). These methods, which enable fundamental studies of the ordering of LCs at polymeric, chemically-functionalized and biomolecular interfaces, are described in this article at a level that can be easily understood by a non-expert reader such as an undergraduate or graduate student. We focus on optical methods because they are based on instrumentation that is found widely in research and teaching laboratories. PMID:23347378

Aromatic anchor at an invariant hormone-receptor interface: Function of insulin residue B24 with application to protein design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pandyarajan, Vijay; Smith, Brian J.; Phillips, Nelson B.

Crystallographic studies of insulin bound to fragments of the insulin receptor have recently defined the topography of the primary hormone-receptor interface. Here, we have investigated the role of Phe B24, an invariant aromatic anchor at this interface and site of a human mutation causing diabetes mellitus. An extensive set of B24 substitutions has been constructed and tested for effects on receptor binding. Although aromaticity has long been considered a key requirement at this position, Met B24 was found to confer essentially native affinity and bioactivity. Molecular modeling suggests that this linear side chain can serve as an alternative hydrophobic anchormore » at the hormone-receptor interface. These findings motivated further substitution of Phe B24 by cyclohexanylalanine (Cha), which contains a nonplanar aliphatic ring. Contrary to expectations, [Cha B24]insulin likewise exhibited high activity. Furthermore, its resistance to fibrillation and the rapid rate of hexamer disassembly, properties of potential therapeutic advantage, were enhanced. The crystal structure of the Cha B24 analog, determined as an R 6 zinc-stabilized hexamer at a resolution of 1.5 Å, closely resembles that of wild-type insulin. The nonplanar aliphatic ring exhibits two chair conformations with partial occupancies, each recapitulating the role of Phe B24 at the dimer interface. Together, these studies have defined structural requirements of an anchor residue within the B24-binding pocket of the insulin receptor; similar molecular principles are likely to pertain to insulin-related growth factors. Finally, our results highlight in particular the utility of nonaromatic side chains as probes of the B24 pocket and suggest that the nonstandard Cha side chain may have therapeutic utility.« less

Sharp Interface Tracking in Rotating Microflows of Solvent Extraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glimm, James; Almeida, Valmor de; Jiao, Xiangmin

2013-01-08

The objective of this project is to develop a specialized sharp interface tracking simulation capability for predicting interaction of micron-sized drops and bubbles in rotating flows relevant to optimized design of contactor devices used in solvent extraction processes of spent nuclear fuel reprocessing. The primary outcomes of this project include the capability to resolve drops and bubbles micro-hydrodynamics in solvent extraction contactors, determining from first principles continuum fluid mechanics how micro-drops and bubbles interact with each other and the surrounding shearing fluid for realistic flows. In the near term, this effort will play a central role in providing parameters andmore » insight into the flow dynamics of models that average over coarser scales, say at the millimeter unit length. In the longer term, it will prove to be the platform to conduct full-device, detailed simulations as parallel computing power reaches the exaflop level. The team will develop an accurate simulation tool for flows containing interacting droplets and bubbles with sharp interfaces under conditions that mimic those found in realistic contactor operations. The main objective is to create an off-line simulation capability to model drop and bubble interactions in a domain representative of the averaged length scale. The technical approach is to combine robust interface tracking software, subgrid modeling, validation quality experiments, powerful computational hardware, and a team with simulation modeling, physical modeling and technology integration experience. Simulations will then fully resolve the microflow of drops and bubbles at the microsecond time scale. This approach is computationally intensive but very accurate in treating important coupled physical phenomena in the vicinity of interfaces. The method makes it possible to resolve spatial scales smaller than the typical distance between bubbles and to model some non-equilibrium thermodynamic features such as finite critical tension in cavitating liquids« less

Aromatic anchor at an invariant hormone-receptor interface: function of insulin residue B24 with application to protein design.

PubMed

Pandyarajan, Vijay; Smith, Brian J; Phillips, Nelson B; Whittaker, Linda; Cox, Gabriella P; Wickramasinghe, Nalinda; Menting, John G; Wan, Zhu-li; Whittaker, Jonathan; Ismail-Beigi, Faramarz; Lawrence, Michael C; Weiss, Michael A

2014-12-12

Crystallographic studies of insulin bound to fragments of the insulin receptor have recently defined the topography of the primary hormone-receptor interface. Here, we have investigated the role of Phe(B24), an invariant aromatic anchor at this interface and site of a human mutation causing diabetes mellitus. An extensive set of B24 substitutions has been constructed and tested for effects on receptor binding. Although aromaticity has long been considered a key requirement at this position, Met(B24) was found to confer essentially native affinity and bioactivity. Molecular modeling suggests that this linear side chain can serve as an alternative hydrophobic anchor at the hormone-receptor interface. These findings motivated further substitution of Phe(B24) by cyclohexanylalanine (Cha), which contains a nonplanar aliphatic ring. Contrary to expectations, [Cha(B24)]insulin likewise exhibited high activity. Furthermore, its resistance to fibrillation and the rapid rate of hexamer disassembly, properties of potential therapeutic advantage, were enhanced. The crystal structure of the Cha(B24) analog, determined as an R6 zinc-stabilized hexamer at a resolution of 1.5 Å, closely resembles that of wild-type insulin. The nonplanar aliphatic ring exhibits two chair conformations with partial occupancies, each recapitulating the role of Phe(B24) at the dimer interface. Together, these studies have defined structural requirements of an anchor residue within the B24-binding pocket of the insulin receptor; similar molecular principles are likely to pertain to insulin-related growth factors. Our results highlight in particular the utility of nonaromatic side chains as probes of the B24 pocket and suggest that the nonstandard Cha side chain may have therapeutic utility. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

Aromatic anchor at an invariant hormone-receptor interface: Function of insulin residue B24 with application to protein design

DOE PAGES

Pandyarajan, Vijay; Smith, Brian J.; Phillips, Nelson B.; ...

2014-10-10

Crystallographic studies of insulin bound to fragments of the insulin receptor have recently defined the topography of the primary hormone-receptor interface. Here, we have investigated the role of Phe B24, an invariant aromatic anchor at this interface and site of a human mutation causing diabetes mellitus. An extensive set of B24 substitutions has been constructed and tested for effects on receptor binding. Although aromaticity has long been considered a key requirement at this position, Met B24 was found to confer essentially native affinity and bioactivity. Molecular modeling suggests that this linear side chain can serve as an alternative hydrophobic anchormore » at the hormone-receptor interface. These findings motivated further substitution of Phe B24 by cyclohexanylalanine (Cha), which contains a nonplanar aliphatic ring. Contrary to expectations, [Cha B24]insulin likewise exhibited high activity. Furthermore, its resistance to fibrillation and the rapid rate of hexamer disassembly, properties of potential therapeutic advantage, were enhanced. The crystal structure of the Cha B24 analog, determined as an R 6 zinc-stabilized hexamer at a resolution of 1.5 Å, closely resembles that of wild-type insulin. The nonplanar aliphatic ring exhibits two chair conformations with partial occupancies, each recapitulating the role of Phe B24 at the dimer interface. Together, these studies have defined structural requirements of an anchor residue within the B24-binding pocket of the insulin receptor; similar molecular principles are likely to pertain to insulin-related growth factors. Finally, our results highlight in particular the utility of nonaromatic side chains as probes of the B24 pocket and suggest that the nonstandard Cha side chain may have therapeutic utility.« less

Investigation of the interface characteristics of Y2O3/GaAs under biaxial strain, triaxial strain, and non-strain conditions

NASA Astrophysics Data System (ADS)

Shi, Li-Bin; Liu, Xu-Yang; Dong, Hai-Kuan

2016-09-01

We investigate the interface behaviors of Y2O3/GaAs under biaxial strain, triaxial strain, and non-strain conditions. This study is performed by first principles calculations based on density functional theory (DFT). First of all, the biaxial strain is realized by changing the lattice constants in ab plane. Averaged electrostatic potential (AEP) is aligned by establishing Y2O3 and GaAs (110) surfaces. The band offsets of Y2O3/GaAs interface under biaxial strain are investigated by generalized gradient approximation and Heyd-Scuseria-Ernzerhof (HSE) functionals. The interface under biaxial strain is suitable for the design of metal oxide semiconductor (MOS) devices because the valence band offsets (VBO) and conduction band offsets (CBO) are larger than 1 eV. Second, the triaxial strain is applied to Y2O3/GaAs interface by synchronously changing the lattice constants in a, b, and c axis. The band gaps of Y2O3 and GaAs under triaxial strain are investigated by HSE functional. We compare the VBO and CBO under triaxial strain with those under biaxial strain. Third, in the absence of lattice strain, the formation energies, charge state switching levels, and migration barriers of native defects in Y2O3 are assessed. We investigate how they will affect the MOS device performance. It is found that VO+2 and Oi-2 play a very dangerous role in MOS devices. Finally, a direct tunneling leakage current model is established. The model is used to analyze current and voltage characteristics of the metal/Y2O3/GaAs.

Emergent Knowledge of a Universal Phonological Principle in the L2 Acquisition of Vowel Harmony in Turkish: A "Four"-Fold Poverty of the Stimulus in L2 Acquisition

ERIC Educational Resources Information Center

Özçelik, Öner; Sprouse, Rex A.

2017-01-01

A significant body of theoretically motivated research has addressed the role of Universal Grammar (UG) in the nonnative acquisition of morphosyntax and properties of the syntax-semantics interface, but very little research has addressed the role of phonological principles of UG in nonnative language acquisition. Turkish has a regular and…

Numerical analysis of fundamental mode selection of a He-Ne laser by a circular aperture

NASA Astrophysics Data System (ADS)

He, Xin; Zhang, Bin

2011-11-01

In the He-Ne laser with an integrated cavity made of zerodur, the inner face performance of the gain tube is limited by the machining techniques, which tends to influence the beam propagation and transverse mode distribution. In order to improve the beam quality and select out the fundamental mode, an aperture is usually introduced in the cavity. In the process of laser design, the Fresnel-Kirchhoff diffraction integral equation is adopted to calculate the optical field distributions on each interface. The transit matrix is obtained based on self-reproducing principle and finite element method. Thus, optical field distribution on any interface and field loss of each transverse mode could be acquired by solving the eigenvalue and eigenvector of the transit matrix. For different-sized apertures in different positions, we could get different matrices and corresponding calculation results. By comparing these results, the optimal size and position of the aperture could be obtained. As a result, the feasibility of selecting fundamental mode in a zerodur He-Ne laser by a circular aperture has been verified theoretically.

Fluorescence Spectroscopy in Thermodynamic and Kinetic Analysis of pH-Dependent Membrane Protein Insertion

PubMed Central

Ladokhin, Alexey S.

2016-01-01

Experimental determination of the free energy stabilizing the structure of membrane proteins in their native lipid environment is undermined by a lack of appropriate methods and suitable model systems. Here, we demonstrate how fluorescence correlation spectroscopy can be used to characterize thermodynamics of pH-triggered bilayer insertion of nonconstitutive membrane proteins (e.g., bacterial toxins, colicins). The experimental design is guided by the appropriate thermodynamic scheme which considers two independent processes: pH-dependent formation of a membrane-competent form and its insertion into the lipid bilayer. Measurements of a model protein annexin B12 under conditions of lipid saturation demonstrate that protonation leading to the formation of the membrane-competent state occurs near membrane interface. Lipid titration experiments demonstrate that the free energy of transfer to the intermediate interfacial state is especially favorable, while the free energy of final insertion is modulated by interplay of hydrophobic and electrostatic interactions on the bilayer interface. The general principles of kinetic measurements along the insertion pathway containing interfacial intermediate are discussed and practical examples emphasizing appropriate fitting and normalization procedures are presented. PMID:21609856

Designing the Instructional Interface.

ERIC Educational Resources Information Center

Lohr, L. L.

2000-01-01

Designing the instructional interface is a challenging endeavor requiring knowledge and skills in instructional and visual design, psychology, human-factors, ergonomic research, computer science, and editorial design. This paper describes the instructional interface, the challenges of its development, and an instructional systems approach to its…

Investigation on AlP as the heterogeneous nucleus of Mg2Si in Al-Mg2Si alloys by experimental observation and first-principles calculation

NASA Astrophysics Data System (ADS)

Sun, Jiayue; Li, Chong; Liu, Xiangfa; Yu, Liming; Li, Huijun; Liu, Yongchang

2018-03-01

The microstructural evolution of primary Mg2Si in Al-20%Mg2Si with Al-3%P master alloy was observed by scanning electron microscope. And the interfacial properties of AlP/Mg2Si interface were investigated using first-principles calculations. The calculation results show that AlP(1 0 0)/Mg2Si(2 1 1) and AlP(3 3 1)/Mg2Si(1 1 0) interfaces can form steadily. P-terminated AlP(1 0 0)/Mg2Si(2 1 1) interface with the largest work of adhesion (4.13 J/m2) is theoretically the most stable. The interfacial electronic structure reveals that there are covalent Si-Al, Si-P and Mg-P bonds existing between AlP and Mg2Si slabs. Due to the AlP particles as effective heterogeneous nucleus of Mg2Si, primary Mg2Si particles change from dendrite to octahedron/truncated octahedron, and their sizes decrease to ∼20 μm.

Effect of temperature on compact layer of Pt electrode in PEMFCs by first-principles molecular dynamics calculations

NASA Astrophysics Data System (ADS)

He, Yang; Chen, Changfeng; Yu, Haobo; Lu, Guiwu

2017-01-01

Formation of the double-layer electric field and capacitance of the water-metal interface is of significant interest in physicochemical processes. In this study, we perform first- principles molecular dynamics simulations on the water/Pt(111) interface to investigate the temperature dependence of the compact layer electric field and capacitance based on the calculated charge densities. On the Pt (111) surface, water molecules form ice-like structures that exhibit more disorder along the height direction with increasing temperature. The Osbnd H bonds of more water molecules point toward the Pt surface to form Ptsbnd H covalent bonds with increasing temperature, which weaken the corresponding Osbnd H bonds. In addition, our calculated capacitance at 300 K is 15.2 mF/cm2, which is in good agreement with the experimental results. As the temperature increases from 10 to 450 K, the field strength and capacitance of the compact layer on Pt (111) first increase and then decrease slightly, which is significant for understanding the water/Pt interface from atomic level.

Spinterface between tris(8-hydroxyquinoline)metal(III) molecules and magnetic surfaces: a first-principles study

NASA Astrophysics Data System (ADS)

Jiang, W.; Wang, Jingying; Dougherty, Daniel; Liu, Feng; Feng Liu Team; Daniel Dougherty Team

Using first-principles calculations, we have systematically investigated the hybridization between tris(8-hydroxyquinoline)metal(III) (Mq3, M = Fe, Cr, Al) molecules and magnetic substrates (Co and Cr). Mq3 with different central metal elements but the same organic framework has dramatically different interaction with different magnetic substrates, which affect the interface state significantly. AFM coupling was observed between magnetic Mq3 molecules and ferromagnetic (Co) as well as antiferromagnetic (Cr) substrate, manifested with a superexchange and direct exchange interaction, respectively. Such strong magnetic interfacial coupling may open a gap around the Fermi level and significantly change interface transport properties. Nonmagnetic Alq3 molecule was found to enhance the interface spin polarization due to hybridization between the lowest unoccupied molecular orbitals (LUMO) of Alq3 and metallic surface state. These findings will help better understand spinterface and shed new light on future application of Mq3 molecules in spintronics devices. This work was support by NSF-MRSEC (DMR-1121252) and DOE-BES (DE-FG02-04ER46148).

Design principles for data- and change-oriented organisational analysis in workplace health promotion.

PubMed

Inauen, A; Jenny, G J; Bauer, G F

2012-06-01

This article focuses on organizational analysis in workplace health promotion (WHP) projects. It shows how this analysis can be designed such that it provides rational data relevant to the further context-specific and goal-oriented planning of WHP and equally supports individual and organizational change processes implied by WHP. Design principles for organizational analysis were developed on the basis of a narrative review of the guiding principles of WHP interventions and organizational change as well as the scientific principles of data collection. Further, the practical experience of WHP consultants who routinely conduct organizational analysis was considered. This resulted in a framework with data-oriented and change-oriented design principles, addressing the following elements of organizational analysis in WHP: planning the overall procedure, data content, data-collection methods and information processing. Overall, the data-oriented design principles aim to produce valid, reliable and representative data, whereas the change-oriented design principles aim to promote motivation, coherence and a capacity for self-analysis. We expect that the simultaneous consideration of data- and change-oriented design principles for organizational analysis will strongly support the WHP process. We finally illustrate the applicability of the design principles to health promotion within a WHP case study.

First-principles study of the α-ω phase transformation in Ti and Zr coupled to slip modes

NASA Astrophysics Data System (ADS)

Kumar, Anil; Bronkhorst, Curt A.; Lookman, Turab

2018-01-01

We present first-principles density functional theory calculations to study the α-ω phase transformation in Ti and Zr and its coupling to slip modes of the two phases. We first investigate the relative energetics of all possible slip systems in the α and ω phases to predict the dominant slip system that is activated during a plastic deformation under an arbitrary load. Using this and the crystallographic orientation relationships between α and ω phases, we construct low energy α/ω interfaces and study the energetics of the slip system at the interface between α and ω to compare to the slip systems in the bulk phases. We find that for a particular crystallographic orientation relationship, where (basal) α∥(prismatic-II)ω , and [a] α∥[c] ω , the slip at the interface is preferred compared to its bulk counterparts. This implies that the plastically deformed α/ω phase with this orientation relationship prefers to retain the interface (or coexisting phases) than transforming back to the pure phase after unloading. This is consistent with the observation that the ω-phase is retained in samples loaded in flyer plate experiments or under high-pressure torsion. Furthermore, calculation of the energy barrier for α to ω phase transformation as a function of glide at the α/ω interface shows significant coupling between the α-ω phase transformation and slip modes in Ti and Zr.

Direct modeling of the electrochemistry in the three-phase boundary of solid oxide fuel cell anodes by density functional theory: a critical overview.

PubMed

Shishkin, M; Ziegler, T

2014-02-07

The first principles modeling of electrochemical reactions has proven useful for the development of efficient, durable and low cost solid oxide full cells (SOFCs). In this account we focus on recent advances in modeling of structural, electronic and catalytic properties of the SOFC anodes based on density functional theory (DFT) first principle calculations. As a starting point, we highlight that the adequate analysis of cell electrochemistry generally requires modeling of chemical reactions at the metal/oxide interface rather than on individual metal or oxide surfaces. The atomic models of Ni/YSZ and Ni/CeO2 interfaces, required for DFT simulations of reactions on SOFC anodes are discussed next, together with the analysis of the electronic structure of these interfaces. Then we proceed to DFT-based findings on charge transfer mechanisms during redox reactions on these two anodes. We provide a comparison of the electronic properties of Ni/YSZ and Ni/CeO2 interfaces and present an interpretation of their different chemical performances. Subsequently we discuss the computed energy pathways of fuel oxidation mechanisms, obtained by various groups to date. We also discuss the results of DFT studies combined with microkinetic modeling as well as the results of kinetic Monte Carlo simulations. In conclusion we summarize the key findings of DFT modeling of metal/oxide interfaces to date and highlight possible directions in the future modeling of SOFC anodes.

The use of analytical models in human-computer interface design

NASA Technical Reports Server (NTRS)

Gugerty, Leo

1991-01-01

Some of the many analytical models in human-computer interface design that are currently being developed are described. The usefulness of analytical models for human-computer interface design is evaluated. Can the use of analytical models be recommended to interface designers? The answer, based on the empirical research summarized here, is: not at this time. There are too many unanswered questions concerning the validity of models and their ability to meet the practical needs of design organizations.

Implementing a Quantitative Analysis Design Tool for Future Generation Interfaces

DTIC Science & Technology

2012-03-01

with Remotely Piloted Aircraft (RPA) has resulted in the need of a platform to evaluate interface design. The Vigilant Spirit Control Station ( VSCS ...Spirit interface. A modified version of the HCI Index was successfully applied to perform a quantitative analysis of the baseline VSCS interface and...time of the original VSCS interface. These results revealed the effectiveness of the tool and demonstrated in the design of future generation

Evaluation methodology for query-based scene understanding systems

NASA Astrophysics Data System (ADS)

Huster, Todd P.; Ross, Timothy D.; Culbertson, Jared L.

2015-05-01

In this paper, we are proposing a method for the principled evaluation of scene understanding systems in a query-based framework. We can think of a query-based scene understanding system as a generalization of typical sensor exploitation systems where instead of performing a narrowly defined task (e.g., detect, track, classify, etc.), the system can perform general user-defined tasks specified in a query language. Examples of this type of system have been developed as part of DARPA's Mathematics of Sensing, Exploitation, and Execution (MSEE) program. There is a body of literature on the evaluation of typical sensor exploitation systems, but the open-ended nature of the query interface introduces new aspects to the evaluation problem that have not been widely considered before. In this paper, we state the evaluation problem and propose an approach to efficiently learn about the quality of the system under test. We consider the objective of the evaluation to be to build a performance model of the system under test, and we rely on the principles of Bayesian experiment design to help construct and select optimal queries for learning about the parameters of that model.

Accurate atomistic potentials and training sets for boron-nitride nanostructures

NASA Astrophysics Data System (ADS)

Tamblyn, Isaac

Boron nitride nanotubes exhibit exceptional structural, mechanical, and thermal properties. They are optically transparent and have high thermal stability, suggesting a wide range of opportunities for structural reinforcement of materials. Modeling can play an important role in determining the optimal approach to integrating nanotubes into a supporting matrix. Developing accurate, atomistic scale models of such nanoscale interfaces embedded within composites is challenging, however, due to the mismatch of length scales involved. Typical nanotube diameters range from 5-50 nm, with a length as large as a micron (i.e. a relevant length-scale for structural reinforcement). Unlike their carbon-based counterparts, well tested and transferable interatomic force fields are not common for BNNT. In light of this, we have developed an extensive training database of BN rich materials, under conditions relevant for BNNT synthesis and composites based on extensive first principles molecular dynamics simulations. Using this data, we have produced an artificial neural network potential capable of reproducing the accuracy of first principles data at significantly reduced computational cost, allowing for accurate simulation at the much larger length scales needed for composite design.

Architectures for intelligent machines

NASA Technical Reports Server (NTRS)

Saridis, George N.

1991-01-01

The theory of intelligent machines has been recently reformulated to incorporate new architectures that are using neural and Petri nets. The analytic functions of an intelligent machine are implemented by intelligent controls, using entropy as a measure. The resulting hierarchical control structure is based on the principle of increasing precision with decreasing intelligence. Each of the three levels of the intelligent control is using different architectures, in order to satisfy the requirements of the principle: the organization level is moduled after a Boltzmann machine for abstract reasoning, task planning and decision making; the coordination level is composed of a number of Petri net transducers supervised, for command exchange, by a dispatcher, which also serves as an interface to the organization level; the execution level, include the sensory, planning for navigation and control hardware which interacts one-to-one with the appropriate coordinators, while a VME bus provides a channel for database exchange among the several devices. This system is currently implemented on a robotic transporter, designed for space construction at the CIRSSE laboratories at the Rensselaer Polytechnic Institute. The progress of its development is reported.

Cognitive Task Analysis, Interface Design, and Technical Troubleshooting.

ERIC Educational Resources Information Center

Steinberg, Linda S.; Gitomer, Drew H.

A model of the interface design process is proposed that makes use of two interdependent levels of cognitive analysis: the study of the criterion task through an analysis of expert/novice differences and the evaluation of the working user interface design through the application of a practical interface analysis methodology (GOMS model). This dual…

Cross-Cultural Interface Design and the Classroom-Learning Environment in Taiwan

ERIC Educational Resources Information Center

Chang, Chia-Lin; Su, Yelin

2012-01-01

This study examined whether using localized interface designs would make a difference in users' learning results and their perceptions of the interface design in a classroom learning environment. This study also sought to learn more about users' attitudes toward the localized interface features. To assess the impact of using localized interfaces…

First-Principles Study on the Thermal Stability of LiNiO2 Materials Coated by Amorphous Al2O3 with Atomic Layer Thickness.

PubMed

Kang, Joonhee; Han, Byungchan

2015-06-03

Using first-principles calculations, we study how to enhance thermal stability of high Ni compositional cathodes in Li-ion battery application. Using the archetype material LiNiO2 (LNO), we identify that ultrathin coating of Al2O3 (0001) on LNO(012) surface, which is the Li de-/intercalation channel, substantially improves the instability problem. Density functional theory calculations indicate that the Al2O3 deposits show phase transition from the corundum-type crystalline (c-Al2O3) to amorphous (a-Al2O3) structures as the number of coating layers reaches three. Ab initio molecular dynamic simulations on the LNO(012) surface coated by a-Al2O3 (about 0.88 nm) with three atomic layers oxygen gas evolution is strongly suppressed at T=400 K. We find that the underlying mechanism is the strong contacting force at the interface between LNO(012) and Al2O3 deposits, which, in turn, originated from highly ionic chemical bonding of Al and O at the interface. Furthermore, we identify that thermodynamic stability of the a-Al2O3 is even more enhanced with Li in the layer, implying that the protection for the LNO(012) surface by the coating layer is meaningful over the charging process. Our approach contributes to the design of innovative cathode materials with not only high-energy capacity but also long-term thermal and electrochemical stability applicable for a variety of electrochemical energy devices including Li-ion batteries.

Utilization of Design Principles for Hybrid Learning Configurations by Interprofessional Design Teams

ERIC Educational Resources Information Center

Cremers, Petra H. M.; Wals, Arjen E. J.; Wesselink, Renate; Mulder, Martin

2017-01-01

Educational design research yields design knowledge, often in the form of design principles or guidelines that provide the rationale or "know-why" for the design of educational interventions. As such, design principles can be utilized by designers in contexts other than the research context in which they were generated. Although research…

Experimentally quantifying anion polarizability at the air/water interface.

PubMed

Tong, Yujin; Zhang, Igor Ying; Campen, R Kramer

2018-04-03

The adsorption of large, polarizable anions from aqueous solution on the air/water interface controls important atmospheric chemistry and is thought to resemble anion adsorption at hydrophobic interfaces generally. While the favourability of adsorption of such ions is clear, quantifying adsorption thermodynamics has proven challenging because it requires accurate description of the structure of the anion and its solvation shell at the interface. In principle anion polarizability offers a structural window, but to the best of our knowledge there has so far been no experimental technique that allowed its characterization with interfacial specificity. Here, we meet this challenge using interface-specific vibrational spectroscopy of Cl-O vibrations of the [Formula: see text] anion at the air/water interface and report that the interface breaks the symmetry of the anion, the anisotropy of [Formula: see text]'s polarizability tensor is more than two times larger than in bulk water and concentration dependent, and concentration-dependent polarizability changes are consistent with correlated changes in surface tension.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chao, B.P.

This report presents a historical perspective of the difficulties associated with user interface design and a review of interface design techniques. Included in the report is an application using rapid-interface-prototyping to the development of CAMP's user interface. 24 refs., 2 tabs.

Stability of the Al/TiB2 interface and doping effects of Mg/Si

NASA Astrophysics Data System (ADS)

Deng, Chao; Xu, Ben; Wu, Ping; Li, Qiulin

2017-12-01

The Al/TiB2 interface is of significant importance in controlling the mechanical properties of Al-B4C composites and tuning the heterogeneous nucleation of Al/Si alloys in industry. Its stability and bonding conditions are critical for both purposes. In this paper, the interfacial energies were investigated by first-principles calculations, and the results support the reported grain refinement mechanisms in Al/Si alloys. Moreover, to improve the mechanical properties of the interface, Mg and Si were doped at the interface, and our simulations show that the two interfaces will both weaken after doping Mg/Si, thus the formation of TiB2 is inhibited. As a result, the processability of the Al-B4C composites may be improved. Our results provide a theoretical basis and guidance for practical applications.

Mathematical analysis of a sharp-diffuse interfaces model for seawater intrusion

NASA Astrophysics Data System (ADS)

Choquet, C.; Diédhiou, M. M.; Rosier, C.

2015-10-01

We consider a new model mixing sharp and diffuse interface approaches for seawater intrusion phenomena in free aquifers. More precisely, a phase field model is introduced in the boundary conditions on the virtual sharp interfaces. We thus include in the model the existence of diffuse transition zones but we preserve the simplified structure allowing front tracking. The three-dimensional problem then reduces to a two-dimensional model involving a strongly coupled system of partial differential equations of parabolic type describing the evolution of the depths of the two free surfaces, that is the interface between salt- and freshwater and the water table. We prove the existence of a weak solution for the model completed with initial and boundary conditions. We also prove that the depths of the two interfaces satisfy a coupled maximum principle.

Method and apparatus for connecting finite element meshes and performing simulations therewith

DOEpatents

Dohrmann, Clark R.; Key, Samuel W.; Heinstein, Martin W.

2003-05-06

The present invention provides a method of connecting dissimilar finite element meshes. A first mesh, designated the master mesh, and a second mesh, designated the slave mesh, each have interface surfaces proximal the other. Each interface surface has a corresponding interface mesh comprising a plurality of interface nodes. Each slave interface node is assigned new coordinates locating the interface node on the interface surface of the master mesh. The slave interface surface is further redefined to be the projection of the slave interface mesh onto the master interface surface.

Interface Specifications for the A-7E Shared Services Module.

DTIC Science & Technology

1982-09-08

To illustrate the principles, the onboard software for the Navy’s A-7E aircraft will be redesigned and rewritten. The Shared Services module provides...purpose of the Shared Services module is to allow the remainder of the software to remain unchanged when the requirements-based rules for these values and...services change. This report describes the modular structure of the Shared Services module, and contains the abstract interface specifications for all

HFE safety reviews of advanced nuclear power plant control rooms

NASA Technical Reports Server (NTRS)

Ohara, John

1994-01-01

Advanced control rooms (ACR's) will utilize human-system interface (HSI) technologies that may have significant implications for plant safety in that they will affect the operator's overall role and means of interacting with the system. The Nuclear Regulatory Commission (NRC) reviews the human factors engineering (HFE) aspects of HSI's to ensure that they are designed to good HFE principles and support performance and reliability in order to protect public health and safety. However, the only available NRC guidance was developed more than ten years ago, and does not adequately address the human performance issues and technology changes associated with ACR's. Accordingly, a new approach to ACR safety reviews was developed based upon the concept of 'convergent validity'. This approach to ACR safety reviews is described.

The BiolAD-DB system : an informatics system for clinical and genetic data.

PubMed

Nielsen, David A; Leidner, Marty; Haynes, Chad; Krauthammer, Michael; Kreek, Mary Jeanne

2007-01-01

The Biology of Addictive Diseases-Database (BiolAD-DB) system is a research bioinformatics system for archiving, analyzing, and processing of complex clinical and genetic data. The database schema employs design principles for handling complex clinical information, such as response items in genetic questionnaires. Data access and validation is provided by the BiolAD-DB client application, which features a data validation engine tightly coupled to a graphical user interface. Data integrity is provided by the password-protected BiolAD-DB SQL compliant server and database. BiolAD-DB tools further provide functionalities for generating customized reports and views. The BiolAD-DB system schema, client, and installation instructions are freely available at http://www.rockefeller.edu/biolad-db/.

A technique for incorporating the NASA spacelab payload dedicated experiment processor software into the simulation system for the payload crew training complex

NASA Technical Reports Server (NTRS)

Bremmer, D. A.

1986-01-01

The feasibility of some off-the-shelf microprocessors and state-of-art software is assessed (1) as a development system for the principle investigator (pi) in the design of the experiment model, (2) as an example of available technology application for future PI's experiments, (3) as a system capable of being interactive in the PCTC's simulation of the dedicated experiment processor (DEP), preferably by bringing the PI's DEP software directly into the simulation model, (4) as a system having bus compatibility with host VAX simulation computers, (5) as a system readily interfaced with mock-up panels and information displays, and (6) as a functional system for post mission data analysis.

Methods and approaches of utilizing ionic liquids as gas sensing materials

PubMed Central

Rehman, Abdul

2017-01-01

Gas monitoring is of increasing significance for a broad range of applications in the fields of environmental and civil infrastructures, climate and energy, health and safety, industry and commerce. Even though there are many gas detection devices and systems available, the increasing needs for better detection technologies that not only satisfy the high analytical standards but also meet additional device requirements (e.g., being robust to survive under field conditions, low cost, small, smart, more mobile), demand continuous efforts in developing new methods and approaches for gas detection. Ionic Liquids (ILs) have attracted a tremendous interest as potential sensing materials for the gas sensor development. Being composed entirely of ions and with a broad structural and functional diversity, i.e., bifunctional (organic/inorganic), biphasic (solid/liquid) and dual-property (solvent/electrolyte), they have the complementing attributes and the required variability to allow a systematic design process across many sensing components to enhance sensing capability especially for miniaturized sensor system implementation. The emphasis of this review is to describe molecular design and control of IL interface materials to provide selective and reproducible response and to synergistically integrate IL sensing materials with low cost and low power electrochemical, piezoelectric/QCM and optical transducers to address many gas detection challenges (e.g., sensitivity, selectivity, reproducibility, speed, stability, cost, sensor miniaturization, and robustness). We further show examples to justify the importance of understanding the mechanisms and principles of physicochemical and electrochemical reactions in ILs and then link those concepts to developing new sensing methods and approaches. By doing this, we hope to stimulate further research towards the fundamental understanding of the sensing mechanisms and new sensor system development and integration, using simple sensing designs and flexible sensor structures both in terms of scientific operation and user interface that can be miniaturized and interfaced with modern wireless monitoring technologies to achieve specifications heretofore unavailable on current markets for the next generation of gas sensor applications. PMID:29142738

Spin-polarized two-dimensional t2 g electron gas: Ab initio study of EuO interface with oxygen-deficient SrTi O3

NASA Astrophysics Data System (ADS)

Gao, Lingyuan; Demkov, Alexander A.

2018-03-01

Using first-principles calculations we predict the existence of a spin-polarized two-dimensional electron gas (2DEG) at the interface of a ferromagnetic insulator EuO and oxygen-deficient SrTi O3 . The carriers are generated by oxygen vacancies in SrTi O3 near the interface and have predominantly Ti-t2 g orbital character. At the interface, the split-off dx y-derived conduction band of SrTi O3 is fully spin-polarized and the in-gap vacancy-induced state, found below the conduction-band edge, is aligned ferromagnetically with EuO. The calculations suggest a possible mechanism for generating spin-polarized 2DEG for spintronic applications.

Challenges of Malaysian Developers in Creating Good Interfaces for Interactive Courseware

ERIC Educational Resources Information Center

Kamaruddin, Norfadilah

2010-01-01

There are many reasons why interface design for interactive courseware fails to support quality of learning experiences. The causes such as the level of interactivity, the availability of the interfaces to interact with the end users and a lack of deep knowledge about the role of interface design by the designers in the development process are…

First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal

NASA Astrophysics Data System (ADS)

Xue, Yuanbin; Wang, Wenyuan; Guo, Yao

2018-02-01

We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy the interface while 1/2 (1 0 0) [1 0 1] SF becomes the most stable when the SF interface is occupied by Sn atoms. SF influences the distribution of La dopant and the electric properties of the system. In the presence of SF, electronic states near the Fermi level decrease and the bandgap expands by about 0.6 eV. Our results suggest that SF is one of the possible origins for the performance degradation.

Towards a Methodology for the Design of Multimedia Public Access Interfaces.

ERIC Educational Resources Information Center

Rowley, Jennifer

1998-01-01

Discussion of information systems methodologies that can contribute to interface design for public access systems covers: the systems life cycle; advantages of adopting information systems methodologies; soft systems methodologies; task-oriented approaches to user interface design; holistic design, the Star model, and prototyping; the…

A Formalized Design Process for Bacterial Consortia That Perform Logic Computing

PubMed Central

Sun, Rui; Xi, Jingyi; Wen, Dingqiao; Feng, Jingchen; Chen, Yiwei; Qin, Xiao; Ma, Yanrong; Luo, Wenhan; Deng, Linna; Lin, Hanchi; Yu, Ruofan; Ouyang, Qi

2013-01-01

The concept of microbial consortia is of great attractiveness in synthetic biology. Despite of all its benefits, however, there are still problems remaining for large-scaled multicellular gene circuits, for example, how to reliably design and distribute the circuits in microbial consortia with limited number of well-behaved genetic modules and wiring quorum-sensing molecules. To manage such problem, here we propose a formalized design process: (i) determine the basic logic units (AND, OR and NOT gates) based on mathematical and biological considerations; (ii) establish rules to search and distribute simplest logic design; (iii) assemble assigned basic logic units in each logic operating cell; and (iv) fine-tune the circuiting interface between logic operators. We in silico analyzed gene circuits with inputs ranging from two to four, comparing our method with the pre-existing ones. Results showed that this formalized design process is more feasible concerning numbers of cells required. Furthermore, as a proof of principle, an Escherichia coli consortium that performs XOR function, a typical complex computing operation, was designed. The construction and characterization of logic operators is independent of “wiring” and provides predictive information for fine-tuning. This formalized design process provides guidance for the design of microbial consortia that perform distributed biological computation. PMID:23468999

Sketching Designs Using the Five Design-Sheet Methodology.

PubMed

Roberts, Jonathan C; Headleand, Chris; Ritsos, Panagiotis D

2016-01-01

Sketching designs has been shown to be a useful way of planning and considering alternative solutions. The use of lo-fidelity prototyping, especially paper-based sketching, can save time, money and converge to better solutions more quickly. However, this design process is often viewed to be too informal. Consequently users do not know how to manage their thoughts and ideas (to first think divergently, to then finally converge on a suitable solution). We present the Five Design Sheet (FdS) methodology. The methodology enables users to create information visualization interfaces through lo-fidelity methods. Users sketch and plan their ideas, helping them express different possibilities, think through these ideas to consider their potential effectiveness as solutions to the task (sheet 1); they create three principle designs (sheets 2,3 and 4); before converging on a final realization design that can then be implemented (sheet 5). In this article, we present (i) a review of the use of sketching as a planning method for visualization and the benefits of sketching, (ii) a detailed description of the Five Design Sheet (FdS) methodology, and (iii) an evaluation of the FdS using the System Usability Scale, along with a case-study of its use in industry and experience of its use in teaching.

Uncovering a new quasi-2D CuO2 plane between the YBa2Cu3O7 and CeO2 buffer layer of coated conductors

NASA Astrophysics Data System (ADS)

Li, Zhi-Xin; Cao, Jin-Jin; Gou, Xiao-Fan; Wang, Tian-Ge; Xue, Feng

2018-01-01

We report a discovery of the quasi-two-dimensional (quasi-2D) CuO2 plane between the superconductor YBa2Cu3O7 (YBCO) and CeO2 buffer layer (mostly used in the fabrication) of coated conductors through the atomistic computer simulations with the molecular dynamics (MD) and first-principle calculations. For an YBCO coated conductor with multilayer structures, the buffer layers deposited onto a substrate are mainly considered to transfer a strong biaxial texture from the substrate to the YBCO layer. To deeply understand the tuning mechanism of the texture transfer, exploring the complete atomic-level picture of the structure between the YBa2Cu3O7/CeO2 interfaces is firstly required. However, the related observation data have not been available due to some big challenges of experimental techniques. With the MD simulations, having tested the accuracy of the potential functions for the YBa2Cu3O7/CeO2 interface, we constructed a total of 54 possible atom stacking models of the interface and identified its most appropriate and stable structure according to the criterion of the interface adhesion energy and the coherent characterization. To further verify the stability of the identified structure, we performed the first-principle calculations to obtain the adhesion energy and developed the general knowledge of the interface structure. Finally, a coherent interface formed with a new built quasi-2D CuO2 plane that is structurally similar to the CuO2 plane inside bulk YBCO was determined.

H2O incorporation in the phosphorene/a-SiO2 interface: a first-principles study

NASA Astrophysics Data System (ADS)

Scopel, Wanderlã L.; Souza, Everson S.; Miwa, R. H.

2017-02-01

Based on first-principles calculations, we investigate (i) the energetic stability and electronic properties of single-layer phosphorene (SLP) adsorbed on an amorphous SiO2 surface (SLP/a-SiO2), and (ii) the further incorporation of water molecules at the phosphorene/a-SiO2 interface. In (i), we find that the phosphorene sheet binds to a-SiO2 through van der Waals interactions, even in the presence of oxygen vacancies on the surface. The SLP/a-SiO2 system presents a type-I band alignment, with the valence (conduction) band maximum (minimum) of the phosphorene lying within the energy gap of the a-SiO2 substrate. The structure and the surface-potential corrugations promote the formation of electron-rich and electron-poor regions on the phosphorene sheet and at the SLP/a-SiO2 interface. Such charge density puddles are strengthened by the presence of oxygen vacancies in a-SiO2. In (ii), because of the amorphous structure of the surface, we consider a number of plausible geometries for H2O embedded in the SLP/a-SiO2 interface. There is an energetic preference for the formation of hydroxyl (OH) groups on the a-SiO2 surface. Meanwhile, in the presence of oxygenated water or interstitial oxygen in the phosphorene sheet, we observe the formation of metastable OH bonded to the phosphorene, and the formation of energetically stable P-O-Si chemical bonds at the SLP/a-SiO2 interface. Further x-ray absorption spectra simulations are performed, which aim to provide additional structural/electronic information on the oxygen atoms forming hydroxyl groups or P-O-Si chemical bonds at the interface region.

H2O incorporation in the phosphorene/a-SiO2 interface: a first-principles study.

PubMed

Scopel, Wanderlã L; Souza, Everson S; Miwa, R H

2017-02-22

Based on first-principles calculations, we investigate (i) the energetic stability and electronic properties of single-layer phosphorene (SLP) adsorbed on an amorphous SiO 2 surface (SLP/a-SiO 2 ), and (ii) the further incorporation of water molecules at the phosphorene/a-SiO 2 interface. In (i), we find that the phosphorene sheet binds to a-SiO 2 through van der Waals interactions, even in the presence of oxygen vacancies on the surface. The SLP/a-SiO 2 system presents a type-I band alignment, with the valence (conduction) band maximum (minimum) of the phosphorene lying within the energy gap of the a-SiO 2 substrate. The structure and the surface-potential corrugations promote the formation of electron-rich and electron-poor regions on the phosphorene sheet and at the SLP/a-SiO 2 interface. Such charge density puddles are strengthened by the presence of oxygen vacancies in a-SiO 2 . In (ii), because of the amorphous structure of the surface, we consider a number of plausible geometries for H 2 O embedded in the SLP/a-SiO 2 interface. There is an energetic preference for the formation of hydroxyl (OH) groups on the a-SiO 2 surface. Meanwhile, in the presence of oxygenated water or interstitial oxygen in the phosphorene sheet, we observe the formation of metastable OH bonded to the phosphorene, and the formation of energetically stable P-O-Si chemical bonds at the SLP/a-SiO 2 interface. Further x-ray absorption spectra simulations are performed, which aim to provide additional structural/electronic information on the oxygen atoms forming hydroxyl groups or P-O-Si chemical bonds at the interface region.

First-Principles Molecular Dynamics Study on the Electric-double layer Capacitance of Water-MXene interfaces

NASA Astrophysics Data System (ADS)

Ando, Yasunobu; Otani, Minoru

MXenes are a new, large family of layered materials synthesized from MAX phases by simple chemical treatments. Due to their enormous variations, MXenes have attracted great attention as promising candidates as anode materials for next-generation secondary batteries. Unfortunately, the specific capacitance of MXenes supercapacitors is lower than that of active-carbon ones. Theoretical investigation of the electric-double layer (EDL) at electrode interfaces is necessary to improve their capacitance. First-principles molecular dynamics (FPMD) simulation based on the density functional theory (DFT) is performed to estimate the EDL capacitance from a potential profile V(z) and a charge distribution q(z) induced by the ions at water-Ti2CTx (T =O, F) interfaces. Potential profiles V(z) of both Ti2CO2 and Ti2CF2 decrease about 1.0 eV steeply in a region of only 3 Å from a Ti layer, which is the same profile at the platinum interfaces. On the other hand, induced charge distribution q(z) depends on the species of surface termination. Induced electrons are introduced at Ti layers in the case of O surface termination. However, Ti2CF2 is not capable to store electrons at Ti layers because it is mono-valence anions. It indicates that effective surface-position of MXenes depends on the surface terminations. Our results are revealed that small induced charge leads the low EDL capacitance at MXene interfaces. This is because interface polarization due to strong interaction between water and Ti2CTx induces net charge. The surface net charge hinders the introduction of ion-induced charges.

Characterizing water-metal interfaces and machine learning potential energy surfaces

NASA Astrophysics Data System (ADS)

Ryczko, Kevin

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Computer-Based Tools for Evaluating Graphical User Interfaces

NASA Technical Reports Server (NTRS)

Moore, Loretta A.

1997-01-01

The user interface is the component of a software system that connects two very complex system: humans and computers. Each of these two systems impose certain requirements on the final product. The user is the judge of the usability and utility of the system; the computer software and hardware are the tools with which the interface is constructed. Mistakes are sometimes made in designing and developing user interfaces because the designers and developers have limited knowledge about human performance (e.g., problem solving, decision making, planning, and reasoning). Even those trained in user interface design make mistakes because they are unable to address all of the known requirements and constraints on design. Evaluation of the user inter-face is therefore a critical phase of the user interface development process. Evaluation should not be considered the final phase of design; but it should be part of an iterative design cycle with the output of evaluation being feed back into design. The goal of this research was to develop a set of computer-based tools for objectively evaluating graphical user interfaces. The research was organized into three phases. The first phase resulted in the development of an embedded evaluation tool which evaluates the usability of a graphical user interface based on a user's performance. An expert system to assist in the design and evaluation of user interfaces based upon rules and guidelines was developed during the second phase. During the final phase of the research an automatic layout tool to be used in the initial design of graphical inter- faces was developed. The research was coordinated with NASA Marshall Space Flight Center's Mission Operations Laboratory's efforts in developing onboard payload display specifications for the Space Station.

Microfluidic PMMA interfaces for rectangular glass capillaries

NASA Astrophysics Data System (ADS)

Evander, Mikael; Tenje, Maria

2014-02-01

We present the design and fabrication of a polymeric capillary fluidic interface fabricated by micro-milling. The design enables the use of glass capillaries with any kind of cross-section in complex microfluidic setups. We demonstrate two different designs of the interface; a double-inlet interface for hydrodynamic focusing and a capillary interface with integrated pneumatic valves. Both capillary interfaces are presented together with examples of practical applications. This communication shows the design optimization and presents details of the fabrication process. The capillary interface opens up for the use of complex microfluidic systems in single-use glass capillaries. They also enable simple fabrication of glass/polymer hybrid devices that can be beneficial in many research fields where a pure polymer chip negatively affects the device's performance, e.g. acoustofluidics.

Speech-generating devices: effectiveness of interface design-a comparative study of autism spectrum disorders.

PubMed

Chen, Chien-Hsu; Wang, Chuan-Po; Lee, I-Jui; Su, Chris Chun-Chin

2016-01-01

We analyzed the efficacy of the interface design of speech generating devices on three non-verbal adolescents with autism spectrum disorder (ASD), in hopes of improving their on-campus communication and cognitive disability. The intervention program was created based on their social and communication needs in school. Two operating interfaces were designed and compared: the Hierarchical Relating Menu and the Pie Abbreviation-Expansion Menu. The experiment used the ABCACB multiple-treatment reversal design. The test items included: (1) accuracy of operating identification; (2) interface operation in response to questions; (3) degree of independent completion. Each of these three items improved with both intervention interfaces. The children were able to operate the interfaces skillfully and respond to questions accurately, which evidenced the effectiveness of the interfaces. We conclude that both interfaces are efficacious enough to help nonverbal children with ASD at different levels.

Project Interface Requirements Process Including Shuttle Lessons Learned

NASA Technical Reports Server (NTRS)

Bauch, Garland T.

2010-01-01

Most failures occur at interfaces between organizations and hardware. Processing interface requirements at the start of a project life cycle will reduce the likelihood of costly interface changes/failures later. This can be done by adding Interface Control Documents (ICDs) to the Project top level drawing tree, providing technical direction to the Projects for interface requirements, and by funding the interface requirements function directly from the Project Manager's office. The interface requirements function within the Project Systems Engineering and Integration (SE&I) Office would work in-line with the project element design engineers early in the life cycle to enhance communications and negotiate technical issues between the elements. This function would work as the technical arm of the Project Manager to help ensure that the Project cost, schedule, and risk objectives can be met during the Life Cycle. Some ICD Lessons Learned during the Space Shuttle Program (SSP) Life Cycle will include the use of hardware interface photos in the ICD, progressive life cycle design certification by analysis, test, & operations experience, assigning interface design engineers to Element Interface (EI) and Project technical panels, and linking interface design drawings with project build drawings

Giant Tunnel Magnetoresistance with a Single Magnetic Phase-Transition Electrode

NASA Astrophysics Data System (ADS)

Zhang, Jia; Chen, X. Z.; Song, C.; Feng, J. F.; Wei, H. X.; Lü, Jing-Tao

2018-04-01

The magnetic phase-transition tunnel-magnetoresistance (MPT-TMR) effect with a single magnetic electrode is investigated by first-principles calculations. The calculations show that the MPT-TMR of an α'-FeRh /MgO /Cu tunnel junction can be as high as hundreds of percent when the magnetic structure of α'-FeRh changes from G -type antiferromagnetic (G -AFM ) to ferromagnetic order. This type of MPT-TMR may be superior to the tunnel anisotropic magnetoresistance because of its huge magnetoresistance effect and similar structural simplicity. The main mechanism for the giant MPT-TMR can be attributed to the formation of interface resonant states at the G -AFM FeRh /MgO interface. A direct FeRh /MgO interface is found to be necessary for achieving a high MPT-TMR experimentally. Moreover, we find the α'-FeRh /MgO interface with FeRh in the ferromagnetic phase has nearly full spin polarization due to the negligible majority transmission and significantly different Fermi surface of two spin channels. Thus, it may act as a highly efficient and tunable spin injector. In addition, the electric-field-driven MPT of FeRh-based heteromagnetic nanostructures can be utilized to design various energy-efficient tunnel-junction structures and the corresponding lower-power-consumption devices. We also discuss the consequence of various junction defects on MPT-TMR. The interface oxygen layer is found to be detrimental to MPT-TMR. The sign of MPT-TMR is reversed with Rh termination due to the lack of contribution from the interface resonance states. However, the MPT-TMR may be robust against the oxygen vacancy inside of MgO and the shift of the Fermi energy. Our results will stimulate further experimental investigations of MPT-TMR and other fascinating phenomenon of FeRh-based tunnel junctions that may be promising in antiferromagnetic spintronics.

Neuroprosthetic Decoder Training as Imitation Learning.

PubMed

Merel, Josh; Carlson, David; Paninski, Liam; Cunningham, John P

2016-05-01

Neuroprosthetic brain-computer interfaces function via an algorithm which decodes neural activity of the user into movements of an end effector, such as a cursor or robotic arm. In practice, the decoder is often learned by updating its parameters while the user performs a task. When the user's intention is not directly observable, recent methods have demonstrated value in training the decoder against a surrogate for the user's intended movement. Here we show that training a decoder in this way is a novel variant of an imitation learning problem, where an oracle or expert is employed for supervised training in lieu of direct observations, which are not available. Specifically, we describe how a generic imitation learning meta-algorithm, dataset aggregation (DAgger), can be adapted to train a generic brain-computer interface. By deriving existing learning algorithms for brain-computer interfaces in this framework, we provide a novel analysis of regret (an important metric of learning efficacy) for brain-computer interfaces. This analysis allows us to characterize the space of algorithmic variants and bounds on their regret rates. Existing approaches for decoder learning have been performed in the cursor control setting, but the available design principles for these decoders are such that it has been impossible to scale them to naturalistic settings. Leveraging our findings, we then offer an algorithm that combines imitation learning with optimal control, which should allow for training of arbitrary effectors for which optimal control can generate goal-oriented control. We demonstrate this novel and general BCI algorithm with simulated neuroprosthetic control of a 26 degree-of-freedom model of an arm, a sophisticated and realistic end effector.

Selection rules for Cooper pairing in two-dimensional interfaces and sheets

NASA Astrophysics Data System (ADS)

Scheurer, Mathias S.; Agterberg, Daniel F.; Schmalian, Jörg

2017-12-01

Thin sheets deposited on a substrate and interfaces of correlated materials offer a plethora of routes towards the realization of exotic phases of matter. In these systems, inversion symmetry is broken which strongly affects the properties of possible instabilities—in particular in the superconducting channel. By combining symmetry and energetic arguments, we derive general and experimentally accessible selection rules for Cooper instabilities in noncentrosymmetric systems, which yield necessary and sufficient conditions for spontaneous time-reversal-symmetry breaking at the superconducting transition and constrain the orientation of the triplet vector. We discuss in detail the implications for various different materials. For instance, we conclude that the pairing state in thin layers of Sr2RuO4 must, as opposed to its bulk superconducting state, preserve time-reversal symmetry with its triplet vector being parallel to the plane of the system. All triplet states of this system allowed by the selection rules are predicted to display topological Majorana modes at dislocations or at the edge of the system. Applying our results to the LaAlO3/SrTiO3 heterostructures, we find that while the condensates of the (001) and (110) oriented interfaces must be time-reversal symmetric, spontaneous time-reversal-symmetry breaking can only occur for the less studied (111) interface. We also discuss the consequences for thin layers of URu2Si2 and UPt3 as well as for single-layer FeSe. On a more general level, our considerations might serve as a design principle in the search for time-reversal-symmetry-breaking superconductivity in the absence of external magnetic fields.

Stability and band offsets between c-plane ZnO semiconductor and LaAlO3 gate dielectric

NASA Astrophysics Data System (ADS)

Wang, Jianli; Chen, Xinfeng; Wu, Shuyin; Tang, Gang; Zhang, Junting; Stampfl, C.

2018-03-01

Wurtzite-perovskite heterostructures composed of a high dielectric constant oxide and a wide bandgap semiconductor envision promising applications in field-effect transistors. In the present paper, the structural and electronic properties of LaAlO3/ZnO heterojunctions are investigated by first-principles calculations. We study the initial adsorption of La, Al, and oxygen atoms on ZnO (0001) and (000 1 ¯ ) surfaces and find that La atoms may occupy interstitial sites during the growth of stoichiometric ZnO (0001). The band gap of the stoichiometric ZnO (0001) surface is smaller than that of the stoichiometric ZnO (000 1 ¯ ) surface. The surface formation energy indicates that La or Al atoms may substitute Zn atoms at the nonstoichiometric ZnO (0001) surface. The atomic charges, electronic density of states, and band offsets are analyzed for the optimized LaAlO3/ZnO heterojunctions. There is a band gap for the LaAlO3/ZnO (000 1 ¯ ) heterostructures, and the largest variation in charge occurs at the surface or interface. Our results suggest that the Al-terminated LaAlO3/ZnO (000 1 ¯ ) interfaces are suitable for the design of metal oxide semiconductor devices because the valence and conduction band offsets are both larger than 1 eV and the interface does not produce any in-gap states.

Technology: Catalyst for Enhancing Chemical Education for Pre-service Teachers

NASA Astrophysics Data System (ADS)

Kumar, Vinay; Bedell, Julia Yang; Seed, Allen H.

1999-05-01

A DOE/KYEPSCoR-funded project enabled us to introduce a new curricular initiative aimed at improving the chemical education of pre-service elementary teachers. The new curriculum was developed in collaboration with the School of Education faculty. A new course for the pre-service teachers, "Discovering Chemistry with Lab" (CHE 105), was developed. The integrated lecture and lab course covers basic principles of chemistry and their applications in daily life. The course promotes reasoning and problem-solving skills and utilizes hands-on, discovery/guided-inquiry, and cooperative learning approaches. This paper describes the implementation of technology (computer-interfacing and simulation experiments) in the lab. Results of two assessment surveys conducted in the laboratory are also discussed. The key features of the lab course are eight new experiments, including four computer-interfacing/simulation experiments involving the use of Macintosh Power PCs, temperature and pH probes, and a serial box interface, and use of household materials. Several experiments and the midterm and final lab practical exams emphasize the discovery/guided-inquiry approach. The results of pre- and post-surveys showed very significant positive changes in students' attitude toward the relevancy of chemistry, use of technology (computers) in elementary school classrooms, and designing and teaching discovery-based units. Most students indicated that they would be very interested (52%) or interested (36%) in using computers in their science teaching.

Effect of the components' interface on the synthesis of methanol over Cu/ZnO from CO2/H2: a microkinetic analysis based on DFT + U calculations.

PubMed

Tang, Qian-Lin; Zou, Wen-Tian; Huang, Run-Kun; Wang, Qi; Duan, Xiao-Xuan

2015-03-21

The elucidation of chemical reactions occurring on composite systems (e.g., copper (Cu)/zincite (ZnO)) from first principles is a challenging task because of their very large sizes and complicated equilibrium geometries. By combining the density functional theory plus U (DFT + U) method with microkinetic modeling, the present study has investigated the role of the phase boundary in CO2 hydrogenation to methanol over Cu/ZnO. The absence of hydrogenation locations created by the interface between the two catalyst components was revealed based on the calculated turnover frequency under realistic conditions, in which the importance of interfacial copper to provide spillover hydrogen for remote Cu(111) sites was stressed. Coupled with the fact that methanol production on the binary catalyst was recently believed to predominantly involve the bulk metallic surface, the spillover of interface hydrogen atoms onto Cu(111) facets facilitates the production process. The cooperative influence of the two different kinds of copper sites can be rationalized applying the Brönsted-Evans-Polanyi (BEP) relationship and allows us to find that the catalytic activity of ZnO-supported Cu catalysts is of volcano type with decrease in the particle size. Our results here may have useful implications in the future design of new Cu/ZnO-based materials for CO2 transformation to methanol.

Using a depth-sensing infrared camera system to access and manipulate medical imaging from within the sterile operating field.

PubMed

Strickland, Matt; Tremaine, Jamie; Brigley, Greg; Law, Calvin

2013-06-01

As surgical procedures become increasingly dependent on equipment and imaging, the need for sterile members of the surgical team to have unimpeded access to the nonsterile technology in their operating room (OR) is of growing importance. To our knowledge, our team is the first to use an inexpensive infrared depthsensing camera (a component of the Microsoft Kinect) and software developed inhouse to give surgeons a touchless, gestural interface with which to navigate their picture archiving and communication systems intraoperatively. The system was designed and developed with feedback from surgeons and OR personnel and with consideration of the principles of aseptic technique and gestural controls in mind. Simulation was used for basic validation before trialing in a pilot series of 6 hepatobiliary-pancreatic surgeries. The interface was used extensively in 2 laparoscopic and 4 open procedures. Surgeons primarily used the system for anatomic correlation, real-time comparison of intraoperative ultrasound with preoperative computed tomography and magnetic resonance imaging scans and for teaching residents and fellows. The system worked well in a wide range of lighting conditions and procedures. It led to a perceived increase in the use of intraoperative image consultation. Further research should be focused on investigating the usefulness of touchless gestural interfaces in different types of surgical procedures and its effects on operative time.

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

PubMed

Meslin, Eric M; Schwartz, Peter H

2015-01-01

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

Interface Stability Influences Torso Muscle Recruitment and Spinal Load During Pushing Tasks

PubMed Central

LEE, P. J.; GRANATA, K. P.

2006-01-01

Handle or interface design can influence torso muscle recruitment and spinal load during pushing tasks. The objective of the study was to provide insight into the role of interface stability with regard to torso muscle recruitment and biomechanical loads on the spine. Fourteen subjects generated voluntary isometric trunk flexion force against a rigid interface and similar flexion exertions against an unstable interface, which simulated handle design in a cart pushing task. Normalized electromyographic (EMG) activity in the rectus abdominus, external oblique and internal oblique muscles increased with exertion effort. When using the unstable interface, EMG activity in the internal and external oblique muscle groups was greater than when using the rigid interface. Results agreed with trends from a biomechanical model implemented to predict the muscle activation necessary to generate isometric pushing forces and maintain spinal stability when using the two different interface designs. The co-contraction contributed to increased spinal load when using the unstable interface. It was concluded that handle or interface design and stability may influence spinal load and associated risk of musculoskeletal injury during manual materials tasks that involve pushing exertions. PMID:16540437

78 FR 32988 - Core Principles and Other Requirements for Designated Contract Markets; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-03

... COMMODITY FUTURES TRADING COMMISSION 17 CFR Part 38 RIN 3038-AD09 Core Principles and Other... regarding Core Principles and Other Requirements for Designated Contract Markets by inserting a missing... regarding Core Principles and Other Requirements for Designated Contract Markets (77 FR 36612, June 19, 2012...

A methodology for the design and evaluation of user interfaces for interactive information systems. Ph.D. Thesis Final Report, 1 Jul. 1985 - 31 Dec. 1987

NASA Technical Reports Server (NTRS)

Dominick, Wayne D. (Editor); Farooq, Mohammad U.

1986-01-01

The definition of proposed research addressing the development and validation of a methodology for the design and evaluation of user interfaces for interactive information systems is given. The major objectives of this research are: the development of a comprehensive, objective, and generalizable methodology for the design and evaluation of user interfaces for information systems; the development of equations and/or analytical models to characterize user behavior and the performance of a designed interface; the design of a prototype system for the development and administration of user interfaces; and the design and use of controlled experiments to support the research and test/validate the proposed methodology. The proposed design methodology views the user interface as a virtual machine composed of three layers: an interactive layer, a dialogue manager layer, and an application interface layer. A command language model of user system interactions is presented because of its inherent simplicity and structured approach based on interaction events. All interaction events have a common structure based on common generic elements necessary for a successful dialogue. It is shown that, using this model, various types of interfaces could be designed and implemented to accommodate various categories of users. The implementation methodology is discussed in terms of how to store and organize the information.

A comprehensive review on nano-molybdenum disulfide/DNA interfaces as emerging biosensing platforms.

PubMed

Kukkar, Manil; Mohanta, Girish C; Tuteja, Satish K; Kumar, Parveen; Bhadwal, Akhshay Singh; Samaddar, Pallabi; Kim, Ki-Hyun; Deep, Akash

2018-06-01

The development of nucleic acid-based portable platforms for the real-time analysis of diseases has attracted considerable scientific and commercial interest. Recently, 2D layered molybdenum sulfide (2D MoS 2 from here on) nanosheets have shown great potential for the development of next-generation platforms for efficient signal transduction. Through combination with DNA as a biorecognition medium, MoS 2 nanostructures have opened new opportunities to design and construct highly sensitive, specific, and commercially viable sensing devices. The use of specific short ssDNA sequences like aptamers has been proven to bind well with the unique transduction properties of 2D MoS 2 nanosheets to realize aptasensing devices. Such sensors can be operated on the principles of fluorescence, electro-cheumuluminescence, and electrochemistry with many advantageous features (e.g., robust biointerfacing through various conjugation chemistries, facile sensor assembly, high stability with regard to temperature/pH, and high affinity to target). This review encompasses the state of the art information on various design tactics and working principles of MoS 2 /DNA sensor technology which is emerging as one of the most sought-after and valuable fields with the advent of nucleic acid inspired devices. To help achieve a new milestone in biosensing applications, great potential of this emerging technique is described further with regard to sensitivity, specificity, operational convenience, and versatility. Copyright © 2018 Elsevier B.V. All rights reserved.

Design considerations to improve cognitive ergonomic issues of unmanned vehicle interfaces utilizing video game controllers.

PubMed

Oppold, P; Rupp, M; Mouloua, M; Hancock, P A; Martin, J

2012-01-01

Unmanned (UAVs, UCAVs, and UGVs) systems still have major human factors and ergonomic challenges related to the effective design of their control interface systems, crucial to their efficient operation, maintenance, and safety. Unmanned system interfaces with a human centered approach promote intuitive interfaces that are easier to learn, and reduce human errors and other cognitive ergonomic issues with interface design. Automation has shifted workload from physical to cognitive, thus control interfaces for unmanned systems need to reduce mental workload on the operators and facilitate the interaction between vehicle and operator. Two-handed video game controllers provide wide usability within the overall population, prior exposure for new operators, and a variety of interface complexity levels to match the complexity level of the task and reduce cognitive load. This paper categorizes and provides taxonomy for 121 haptic interfaces from the entertainment industry that can be utilized as control interfaces for unmanned systems. Five categories of controllers were based on the complexity of the buttons, control pads, joysticks, and switches on the controller. This allows the selection of the level of complexity needed for a specific task without creating an entirely new design or utilizing an overly complex design.

Stiffness Parameter Design of Suspension Element of Under-Chassis-Equipment for A Rail Vehicle

NASA Astrophysics Data System (ADS)

Ma, Menglin; Wang, Chengqiang; Deng, Hai

2017-06-01

According to the frequency configuration requirements of the vibration of railway under-chassis-equipment, the three- dimension stiffness of the suspension elements of under-chassis-equipment is designed based on the static principle and dynamics principle. The design results of the concrete engineering case show that, compared with the design method based on the static principle, the three- dimension stiffness of the suspension elements designed by the dynamic principle design method is more uniform. The frequency and decoupling degree analysis show that the calculation frequency of under-chassis-equipment under the two design methods is basically the same as the predetermined frequency. Compared with the design method based on the static principle, the design method based on the dynamic principle is adopted. The decoupling degree can be kept high, and the coupling vibration of the corresponding vibration mode can be reduced effectively, which can effectively reduce the fatigue damage of the key parts of the hanging element.

Design Principles for the Information Architecture of a SMET Education Digital Library.

ERIC Educational Resources Information Center

Dong, Andy; Agogino, Alice M.

This implementation paper introduces principles for the information architecture of an educational digital library, principles that address the distinction between designing digital libraries for education and designing digital libraries for information retrieval in general. Design is a key element of any successful product. Good designers and…

[Real-time detection and processing of medical signals under windows using Lcard analog interfaces].

PubMed

Kuz'min, A A; Belozerov, A E; Pronin, T V

2008-01-01

Multipurpose modular software for an analog interface based on Lcard 761 is considered. Algorithms for pipeline processing of medical signals under Windows with dynamic control of computational resources are suggested. The software consists of user-friendly completable modifiable modules. The module hierarchy is based on object-oriented heritage principles, which make it possible to construct various real-time systems for long-term detection, processing, and imaging of multichannel medical signals.

First-principles study of twin grain boundaries in epitaxial BaSi{sub 2} on Si(111)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baba, Masakazu; Suemasu, Takashi, E-mail: suemasu@bk.tsukuba.ac.jp; Kohyama, Masanori

2016-08-28

Epitaxial films of BaSi{sub 2} on Si(111) for solar cell applications possess three epitaxial variants and exhibit a minority carrier diffusion length (ca. 9.4 μm) much larger than the domain size (ca. 0.2 μm); thus, the domain boundaries (DBs) between the variants do not act as carrier recombination centers. In this work, transmission electron microscopy (TEM) was used to observe the atomic arrangements around the DBs in BaSi{sub 2} epitaxial films on Si(111), and the most stable atomic configuration was determined by first-principles calculations based on density functional theory to provide possible interface models. Bright-field TEM along the a-axis of BaSi{sub 2}more » revealed that each DB was a twin boundary between two different epitaxial variants, and that Ba{sup (II)} atoms form hexagons containing central Ba{sup (I)} atoms in both the bulk and DB regions. Four possible interface models containing Ba{sup (I)}-atom interface layers were constructed, each consistent with TEM observations and distinguished by the relationship between the Si tetrahedron arrays in the two domains adjacent across the interface. This study assessed the structural relaxation of initial interface models constructed from surface slabs terminated by Ba{sup (I)} atoms or from zigzag surface slabs terminated by Si tetrahedra and Ba{sup (II)} atoms. In these models, the interactions or relative positions between Si tetrahedra appear to dominate the relaxation behavior and DB energies. One of the four interface models whose relationship between first-neighboring Si tetrahedra across the interface was the same as that in the bulk was particularly stable, with a DB energy of 95 mJ/m{sup 2}. There were no significant differences in the partial densities of states and band gaps between the bulk and DB regions, and it was therefore concluded that such DBs do not affect the minority carrier properties of BaSi{sub 2}.« less

Interfaces in Heterogeneous Catalysts: Advancing Mechanistic Understanding through Atomic-Scale Measurements.

PubMed

Gao, Wenpei; Hood, Zachary D; Chi, Miaofang

2017-04-18

Developing novel catalysts with high efficiency and selectivity is critical for enabling future clean energy conversion technologies. Interfaces in catalyst systems have long been considered the most critical factor in controlling catalytic reaction mechanisms. Interfaces include not only the catalyst surface but also interfaces within catalyst particles and those formed by constructing heterogeneous catalysts. The atomic and electronic structures of catalytic surfaces govern the kinetics of binding and release of reactant molecules from surface atoms. Interfaces within catalysts are introduced to enhance the intrinsic activity and stability of the catalyst by tuning the surface atomic and chemical structures. Examples include interfaces between the core and shell, twin or domain boundaries, or phase boundaries within single catalyst particles. In supported catalyst nanoparticles (NPs), the interface between the metallic NP and support serves as a critical tuning factor for enhancing catalytic activity. Surface electronic structure can be indirectly tuned and catalytically active sites can be increased through the use of supporting oxides. Tuning interfaces in catalyst systems has been identified as an important strategy in the design of novel catalysts. However, the governing principle of how interfaces contribute to catalyst behavior, especially in terms of interactions with intermediates and their stability during electrochemical operation, are largely unknown. This is mainly due to the evolving nature of such interfaces. Small changes in the structural and chemical configuration of these interfaces may result in altering the catalytic performance. These interfacial arrangements evolve continuously during synthesis, processing, use, and even static operation. A technique that can probe the local atomic and electronic interfacial structures with high precision while monitoring the dynamic interfacial behavior in situ is essential for elucidating the role of interfaces and providing deeper insight for fine-tuning and optimizing catalyst properties. Scanning transmission electron microscopy (STEM) has long been a primary characterization technique used for studying nanomaterials because of its exceptional imaging resolution and simultaneous chemical analysis. Over the past decade, advances in STEM, that is, the commercialization of both aberration correctors and monochromators, have significantly improved the spatial and energy resolution. Imaging atomic structures with subangstrom resolution and identifying chemical species with single-atom sensitivity are now routine for STEM. These advancements have greatly benefitted catalytic research. For example, the roles of lattice strain and surface elemental distribution and their effect on catalytic stability and reactivity have been well documented in bimetallic catalysts. In addition, three-dimensional atomic structures revealed by STEM tomography have been integrated in theoretical modeling for predictive catalyst NP design. Recent developments in stable electronic and mechanical devices have opened opportunities to monitor the evolution of catalysts in operando under synthesis and reaction conditions; high-speed direct electron detectors have achieved sub-millisecond time resolutions and allow for rapid structural and chemical changes to be captured. Investigations of catalysts using these latest microscopy techniques have provided new insights into atomic-level catalytic mechanisms. Further integration of new microscopy methods is expected to provide multidimensional descriptions of interfaces under relevant synthesis and reaction conditions. In this Account, we discuss recent insights on understanding catalyst activity, selectivity, and stability using advanced STEM techniques, with an emphasis on how critical interfaces dictate the performance of precious metal-based heterogeneous catalysts. The role of extended interfacial structures, including those between core and shell, between separate phases and twinned grains, between the catalyst surface and gas, and between metal and support are discussed. We also provide an outlook on how emerging electron microscopy techniques, such as vibrational spectroscopy and electron ptychography, will impact future catalysis research.

Adaptive Interfaces

DTIC Science & Technology

1990-11-01

to design and implement an adaptive intelligent interface for a command-and-control-style domain. The primary functionality of the resulting...technical tasks, as follows: 1. Analysis of Current Interface Technologies 2. Dejineation of User Roles 3. Development of User Models 4. Design of Interface...Management Association (FEMA). In the initial version of the prototype, two distin-t user models were designed . One type of user modeled by the system is

User Interface Composition with COTS-UI and Trading Approaches: Application for Web-Based Environmental Information Systems

NASA Astrophysics Data System (ADS)

Criado, Javier; Padilla, Nicolás; Iribarne, Luis; Asensio, Jose-Andrés

Due to the globalization of the information and knowledge society on the Internet, modern Web-based Information Systems (WIS) must be flexible and prepared to be easily accessible and manageable in real-time. In recent times it has received a special interest the globalization of information through a common vocabulary (i.e., ontologies), and the standardized way in which information is retrieved on the Web (i.e., powerful search engines, and intelligent software agents). These same principles of globalization and standardization should also be valid for the user interfaces of the WIS, but they are built on traditional development paradigms. In this paper we present an approach to reduce the gap of globalization/standardization in the generation of WIS user interfaces by using a real-time "bottom-up" composition perspective with COTS-interface components (type interface widgets) and trading services.

Abundance and Temperature Dependency of Protein-Protein Interaction Revealed by Interface Structure Analysis and Stability Evolution

PubMed Central

He, Yi-Ming; Ma, Bin-Guang

2016-01-01

Protein complexes are major forms of protein-protein interactions and implement essential biological functions. The subunit interface in a protein complex is related to its thermostability. Though the roles of interface properties in thermal adaptation have been investigated for protein complexes, the relationship between the interface size and the expression level of the subunits remains unknown. In the present work, we studied this relationship and found a positive correlation in thermophiles rather than mesophiles. Moreover, we found that the protein interaction strength in complexes is not only temperature-dependent but also abundance-dependent. The underlying mechanism for the observed correlation was explored by simulating the evolution of protein interface stability, which highlights the avoidance of misinteraction. Our findings make more complete the picture of the mechanisms for protein complex thermal adaptation and provide new insights into the principles of protein-protein interactions. PMID:27220911

Abundance and Temperature Dependency of Protein-Protein Interaction Revealed by Interface Structure Analysis and Stability Evolution

NASA Astrophysics Data System (ADS)

He, Yi-Ming; Ma, Bin-Guang

2016-05-01

Protein complexes are major forms of protein-protein interactions and implement essential biological functions. The subunit interface in a protein complex is related to its thermostability. Though the roles of interface properties in thermal adaptation have been investigated for protein complexes, the relationship between the interface size and the expression level of the subunits remains unknown. In the present work, we studied this relationship and found a positive correlation in thermophiles rather than mesophiles. Moreover, we found that the protein interaction strength in complexes is not only temperature-dependent but also abundance-dependent. The underlying mechanism for the observed correlation was explored by simulating the evolution of protein interface stability, which highlights the avoidance of misinteraction. Our findings make more complete the picture of the mechanisms for protein complex thermal adaptation and provide new insights into the principles of protein-protein interactions.

A General Approach for Fluid Patterning and Application in Fabricating Microdevices.

PubMed

Huang, Zhandong; Yang, Qiang; Su, Meng; Li, Zheng; Hu, Xiaotian; Li, Yifan; Pan, Qi; Ren, Wanjie; Li, Fengyu; Song, Yanlin

2018-06-19

Engineering the fluid interface such as the gas-liquid interface is of great significance for solvent processing applications including functional material assembly, inkjet printing, and high-performance device fabrication. However, precisely controlling the fluid interface remains a great challenge owing to its flexibility and fluidity. Here, a general method to manipulate the fluid interface for fluid patterning using micropillars in the microchannel is reported. The principle of fluid patterning for immiscible fluid pairs including air, water, and oils is proposed. This understanding enables the preparation of programmable multiphase fluid patterns and assembly of multilayer functional materials to fabricate micro-optoelectronic devices. This general strategy of fluid patterning provides a promising platform to study the fundamental processes occurring on the fluid interface, and benefits applications in many subjects, such as microfluidics, microbiology, chemical analysis and detection, material synthesis and assembly, device fabrication, etc. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Achievement of two logical states through a polymer/silicon interface for organic-inorganic hybrid memory

NASA Astrophysics Data System (ADS)

Chen, Jianhui; Chen, Bingbing; Shen, Yanjiao; Guo, Jianxin; Liu, Baoting; Dai, Xiuhong; Xu, Ying; Mai, Yaohua

2017-11-01

A hysteresis loop of minority carrier lifetime vs voltage is found in polystyrenesulfonate (PSS)/Si organic-inorganic hybrid heterojunctions, implying an interfacial memory effect. Capacitance-voltage and conductance-voltage hysteresis loops are observed and reveal a memory window. A switchable interface state, which can be controlled by charge transfer based on an electrochemical oxidation/deoxidation process, is suggested to be responsible for this hysteresis effect. We perform first-principle total-energy calculations on the influence of external electric fields and electrons or holes, which are injected into interface states on the adsorption energy of PSS on Si. It is demonstrated that the dependence of the interface adsorption energy difference on the electric field is the origin of this two-state switching. These results offer a concept of organic-inorganic hybrid interface memory being optically or electrically readable, low-cost, and compatible with the flexible organic electronics.

The stability and half-metallicity of (001) surface and (001) interface based on zinc blende MnAs

NASA Astrophysics Data System (ADS)

Han, Hongpei; Feng, Tuanhui; Zhang, Chunli; Feng, Zhibo; Li, Ming; Yao, K. L.

2018-06-01

Motivated by the growth of MnAs/GaAs thin films in many experimental researches, we investigate the electronic and magnetic properties of bulk, (001) surfaces and (001) interfaces for zinc blende MnAs by means of first-principle calculations. It is confirmed that zinc blende MnAs is a nearly half-metallic ferromagnet with 4.00 μB magnetic moment. The calculated density of states show that the half-metallicity exists in As-terminated (001) surface while it is lost in Mn-terminated (001) surface. For the (001) interfaces of MnAs with semiconductor GaAs, it is found that As-Ga and Mn-As interfaces not only have higher spin polarization but also are more stable among the four considered interfaces. Our results would be helpful to grow stable and high polarized thin films or multilayers for the practical applications of spintronic devices.

Non destructive examination of interface of molecular assembly

NASA Astrophysics Data System (ADS)

Perez, Guy; Richard, Isaline; Lecomte, Jean-Claude

2017-11-01

Molecular assembly interfaces can be characterised by mechanical testing and/or the interaction between waves and the interface. The disadvantage of the mechanical approach is that new defects may be produced at the interface, or existing defects may be destroyed. Using the interaction between waves and the interface is a non-destructive approach. But what kind of waves should be used? Electromagnetic waves in the visible range depend on wave attenuation in the material, infrared waves also depend on the thickness and X-ray waves have a too short a wave length to detect interface defects. In this article, the use of acoustic waves is proposed for non-destructive examination of molecular assembly interfaces. Acoustic wave propagation is very sensitive to variations in interface characteristics depending on whether the waves are reflected or transmitted. To improve the sensitivity and resolution of this technique, small wave lengths have been used with a scanning acoustic microscope (S.A.M.) with a band width from 1MHz to 400 MHz. After a short description of the principle of the method, results are given for different types of components. Different applications of acoustic microscopy are proposed for non-destructive examination of interfaces and defect detection in materials.

Structural optimization of dental restorations using the principle of adaptive growth.

PubMed

Couegnat, Guillaume; Fok, Siu L; Cooper, Jonathan E; Qualtrough, Alison J E

2006-01-01

In a restored tooth, the stresses that occur at the tooth-restoration interface during loading could become large enough to fracture the tooth and/or restoration and it has been estimated that 92% of fractured teeth have been previously restored. The tooth preparation process for a dental restoration is a classical optimization problem: tooth reduction must be minimized to preserve tooth tissue whilst stress levels must be kept low to avoid fracture of the restored unit. The objective of the present study was to derive alternative optimized designs for a second upper premolar cavity preparation by means of structural shape optimization based on the finite element method and biological adaptive growth. Three models of cavity preparations were investigated: an inlay design for preparation of a premolar tooth, an undercut cavity design and an onlay preparation. Three restorative materials and several tooth/restoration contact conditions were utilized to replicate the in vitro situation as closely as possible. The optimization process was run for each cavity geometry. Mathematical shape optimization based on biological adaptive growth process was successfully applied to tooth preparations for dental restorations. Significant reduction in stress levels at the tooth-restoration interface where bonding is imperfect was achieved using optimized cavity or restoration shapes. In the best case, the maximum stress value was reduced by more than 50%. Shape optimization techniques can provide an efficient and effective means of reducing the stresses in restored teeth and hence has the potential of prolonging their service lives. The technique can easily be adopted for optimizing other dental restorations.

SKITTER/implement mechanical interface

NASA Technical Reports Server (NTRS)

Cash, John Wilson, III; Cone, Alan E.; Garolera, Frank J.; German, David; Lindabury, David Peter; Luckado, Marshall Cleveland; Murphey, Craig; Rowell, John Bryan; Wilkinson, Brad

1988-01-01

SKITTER (Spacial Kinematic Inertial Translatory Tripod Extremity Robot) is a three-legged transport vehicle designed to perform under the unique environment of the moon. The objective of this project was to design a mechanical interface for SKITTER. This mechanical latching interface will allow SKITTER to use a series of implements such as drills, cranes, etc., and perform different tasks on the moon. The design emphasized versatility and detachability; that is, the interface design is the same for all implements, and connection and detachment is simple. After consideration of many alternatives, a system of three identical latches at each of the three interface points was chosen. The latching mechanism satisfies the design constraints because it facilitates connection and detachment. Also, the moving parts are protected from the dusty environment by housing plates.

Half-metallicity at the (110) interface between a full Heusler alloy and GaAs

NASA Astrophysics Data System (ADS)

Nagao, Kazutaka; Miura, Yoshio; Shirai, Masafumi

2006-03-01

The electronic properties of Co2CrAl/GaAs interfaces are investigated by using first-principles calculations with density functional theory. It is found that spin polarization tends to remain relatively high at the (110) interface and reaches almost unity for a specific (110) interfacial structure. Furthermore, the nearly-half-metallic interface turns out to be the most stable of the (110) interfacial structures studied here. Spin polarization calculated only from the sp -projected density of states is also examined in order to eliminate the effects stemming from the localized d components. The analysis shows that the high spin polarization at the (110) interface owes little to the localized d component and, therefore, is expected to be fairly relevant to transport properties. Co2CrSi/GaAs , Co2MnSi/GaAs , and Co2MnGe/GaAs heterostructures are also investigated, and similar half-metal-like behavior at (110) interface is observed for all of them.

New derivation of the wavefront curvature transformation at an interface between two inhomogeneous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uzsin, B.

The principles for ray-tracing and wavefront curvature calculations in a three-dimensional medium are reviewed. A new derivation of the transformation of the wavefront curvature matrix at an interface between two inhomogeneous media is given. The derivation is based on a Taylor series expansion of the ray refraction equation at the interface between two inhomogeneous media, and only elementary geometric arguments are used. The wavefront curvature transformation at the interface is obtained by neglecting all terms in the direction of the surface normal. With proper definition of the variables, the derivation is also valid for a reflected wavefront. A simplified transformationmore » rule is derived for a reflected wave of the same type as the incident wave.« less

First-principles calculations of the thermodynamic properties of transuranium elements in a molten salt medium

NASA Astrophysics Data System (ADS)

Noh, Seunghyo; Kwak, Dohyun; Lee, Juseung; Kang, Joonhee; Han, Byungchan

2014-03-01

We utilized first-principles density-functional-theory (DFT) calculations to evaluate the thermodynamic feasibility of a pyroprocessing methodology for reducing the volume of high-level radioactive materials and recycling spent nuclear fuels. The thermodynamic properties of transuranium elements (Pu, Np and Cm) were obtained in electrochemical equilibrium with a LiCl-KCl molten salt as ionic phases and as adsorbates on a W(110) surface. To accomplish the goal, we rigorously calculated the double layer interface structures on an atomic resolution, on the thermodynamically most stable configurations on W(110) surfaces and the chemical activities of the transuranium elements for various coverages of those elements. Our results indicated that the electrodeposition process was very sensitive to the atomic level structures of Cl ions at the double-layer interface. Our studies are easily expandable to general electrochemical applications involving strong redox reactions of transition metals in non-aqueous solutions.

Band alignment at the CdS/FeS2 interface based on the first-principles calculation

NASA Astrophysics Data System (ADS)

Ichimura, Masaya; Kawai, Shoichi

2015-03-01

FeS2 is potentially well-suited for the absorber layer of a thin-film solar cell. Since it usually has p-type conductivity, a pn heterojunction cell can be fabricated by combining it with an n-type material. In this work, the band alignment in the heterostructure based on FeS2 is investigated on the basis of the first-principles calculation. CdS, the most popular buffer-layer material for thin-film solar cells, is selected as the partner in the heterostructure. The results indicate that there is a large conduction band offset (0.65 eV) at the interface, which will hinder the flow of photogenerated electrons from FeS2 to CdS. Thus an n-type material with the conduction band minimum positioned lower than that of CdS will be preferable as the partner in the heterostructure.

Gilbert Damping Parameter in MgO-Based Magnetic Tunnel Junctions from First Principles

NASA Astrophysics Data System (ADS)

Tang, Hui-Min; Xia, Ke

2017-03-01

We perform a first-principles study of the Gilbert damping parameter (α ) in normal-metal/MgO-cap/ferromagnet/MgO-barrier/ferromagnetic magnetic tunnel junctions. The damping is enhanced by interface spin pumping, which can be parametrized by the spin-mixing conductance (G↑↓ ). The calculated dependence of Gilbert damping on the thickness of the MgO capping layer is consistent with experiment and indicates that the decreases in α with increasing thickness of the MgO capping layer is caused by suppression of spin pumping. Smaller α can be achieved by using a clean interface and alloys. For a thick MgO capping layer, the imaginary part of the spin-mixing conductance nearly equals the real part, and the large imaginary mixing conductance implies that the change in the frequency of ferromagnetic resonance can be observed experimentally. The normal-metal cap significantly affects the Gilbert damping.

Enhancing the Therapy Experience Using Principles of Video Game Design.

PubMed

Folkins, John Wm; Brackenbury, Tim; Krause, Miriam; Haviland, Allison

2016-02-01

This article considers the potential benefits that applying design principles from contemporary video games may have on enhancing therapy experiences. Six principles of video game design are presented, and their relevance for enriching clinical experiences is discussed. The motivational and learning benefits of each design principle have been discussed in the education literature as having positive impacts on student motivation and learning and are related here to aspects of clinical practice. The essential experience principle suggests connecting all aspects of the experience around a central emotion or cognitive connection. The discovery principle promotes indirect learning in focused environments. The risk-taking principle addresses the uncertainties clients face when attempting newly learned skills in novel situations. The generalization principle encourages multiple opportunities for skill transfer. The reward system principle directly relates to the scaffolding of frequent and varied feedback in treatment. Last, the identity principle can assist clients in using their newly learned communication skills to redefine self-perceptions. These principles highlight areas for research and interventions that may be used to reinforce or advance current practice.

Out-of-Equilibrium Dynamics of Colloidal Particles at Interfaces

NASA Astrophysics Data System (ADS)

Wang, Anna

It is widely assumed that when colloidal particles adsorb to a fluid-fluid interface, they reach equilibrium rapidly. Recently, however, Kaz et al. [Nature Materials, 11, 138-142 (2012)] found that a variety of functionalised latex microspheres breaching an aqueous phase-oil interface relax logarithmically with time toward equilibrium. The relaxation is so slow that the time projected for the particles to reach the equilibrium contact angle of 110° is months--far longer than typical experimental timescales. In this thesis, we seek to understand the out-of-equilibrium behaviour of particles near interfaces. Because contact line pinning is likely an extra source of dissipation at interfaces, we start with experiments to elucidate the origins of contact-line pinning and find that polymer hairs on aqueous dispersed polymer particles strongly pin the contact-line. For particles without polymer hairs, nanoscale surface roughness can also pin the contact-line, though with a lower energy. We then extend our digital holography capabilities to track non-spherical particles. We demonstrate that we can track the centre-of-mass of a colloidal spherocylinder to a precision of 35 nm in all three dimensions and its orientation to a precision of 1.5°. Furthermore, the measured translational and rotational diffusion coefficients for the spherocylinders agree with hydrodynamic predictions to within 0.3%. This new functionality enables us to track colloidal ellipsoids and spherocylinders as they breach interfaces. By comparing the adsorption trajectories of the non-spherical particles to what is predicted from energy minimisation, we learn that contact-line pinning affects not just the timescales of breaching, but also the pathway to equilibrium. In fact, a particle's path to equilibrium can have complications even before the particle breaches the interface. Some particles are attracted to the interface, but stay within a few nanometers without ever breaching. We refer to this binding-mode as 'non-capillary binding', and we investigate when this binding mode is present, what causes it, and how interparticle interactions depend on the binding mode. The last few chapters in this thesis are extensions of ideas developed in the first part. We track the run and tumble of E.coli to demonstrate the potential of digital holographic microscopy as an imaging tool for active particles. Taking all of the particle-interface literature into account, we also outline some simple design principles for making particle-stabilised Pickering emulsions.

Semiconductor-Electrocatalyst Interfaces: Theory, Experiment, and Applications in Photoelectrochemical Water Splitting.

PubMed

Nellist, Michael R; Laskowski, Forrest A L; Lin, Fuding; Mills, Thomas J; Boettcher, Shannon W

2016-04-19

Light-absorbing semiconductor electrodes coated with electrocatalysts are key components of photoelectrochemical energy conversion and storage systems. Efforts to optimize these systems have been slowed by an inadequate understanding of the semiconductor-electrocatalyst (sem|cat) interface. The sem|cat interface is important because it separates and collects photoexcited charge carriers from the semiconductor. The photovoltage generated by the interface drives "uphill" photochemical reactions, such as water splitting to form hydrogen fuel. Here we describe efforts to understand the microscopic processes and materials parameters governing interfacial electron transfer between light-absorbing semiconductors, electrocatalysts, and solution. We highlight the properties of transition-metal oxyhydroxide electrocatalysts, such as Ni(Fe)OOH, because they are the fastest oxygen-evolution catalysts known in alkaline media and are (typically) permeable to electrolyte. We describe the physics that govern the charge-transfer kinetics for different interface types, and show how numerical simulations can explain the response of composite systems. Emphasis is placed on "limiting" behavior. Electrocatalysts that are permeable to electrolyte form "adaptive" junctions where the interface energetics change during operation as charge accumulates in the catalyst, but is screened locally by electrolyte ions. Electrocatalysts that are dense, and thus impermeable to electrolyte, form buried junctions where the interface physics are unchanged during operation. Experiments to directly measure the interface behavior and test the theory/simulations are challenging because conventional photoelectrochemical techniques do not measure the electrocatalyst potential during operation. We developed dual-working-electrode (DWE) photoelectrochemistry to address this limitation. A second electrode is attached to the catalyst layer to sense or control current/voltage independent from that of the semiconductor back ohmic contact. Consistent with simulations, electrolyte-permeable, redox-active catalysts such as Ni(Fe)OOH form "adaptive" junctions where the effective barrier height for electron exchange depends on the potential of the catalyst. This is in contrast to sem|cat interfaces with dense electrolyte-impermeable catalysts, such as nanocrystalline IrOx, that behave like solid-state buried (Schottky-like) junctions. These results elucidate a design principle for catalyzed photoelectrodes. The buried heterojunctions formed by dense catalysts are often limited by Fermi-level pinning and low photovoltages. Catalysts deposited by "soft" methods, such as electrodeposition, form adaptive junctions that tend to provide larger photovoltages and efficiencies. We also preview efforts to improve theory/simulations to account for the presence of surface states and discuss the prospect of carrier-selective catalyst contacts.

Adaptation of the Camera Link Interface for Flight-Instrument Applications

NASA Technical Reports Server (NTRS)

Randall, David P.; Mahoney, John C.

2010-01-01

COTS (commercial-off-the-shelf) hard ware using an industry-standard Camera Link interface is proposed to accomplish the task of designing, building, assembling, and testing electronics for an airborne spectrometer that would be low-cost, but sustain the required data speed and volume. The focal plane electronics were designed to support that hardware standard. Analysis was done to determine how these COTS electronics could be interfaced with space-qualified camera electronics. Interfaces available for spaceflight application do not support the industry standard Camera Link interface, but with careful design, COTS EGSE (electronics ground support equipment), including camera interfaces and camera simulators, can still be used.

Intelligent interface design and evaluation

NASA Technical Reports Server (NTRS)

Greitzer, Frank L.

1988-01-01

Intelligent interface concepts and systematic approaches to assessing their functionality are discussed. Four general features of intelligent interfaces are described: interaction efficiency, subtask automation, context sensitivity, and use of an appropriate design metaphor. Three evaluation methods are discussed: Functional Analysis, Part-Task Evaluation, and Operational Testing. Design and evaluation concepts are illustrated with examples from a prototype expert system interface for environmental control and life support systems for manned space platforms.

Using Qualitative Methods to Create a Home Health Web Application User Interface for Patients with Low Computer Proficiency.

PubMed

Baier, Rosa R; Cooper, Emily; Wysocki, Andrea; Gravenstein, Stefan; Clark, Melissa

2015-01-01

Despite the investment in public reporting for a number of healthcare settings, evidence indicates that consumers do not routinely use available data to select providers. This suggests that existing reports do not adequately incorporate recommendations for consumer-facing reports or web applications. Healthcentric Advisors and Brown University undertook a multi-phased approach to create a consumer-facing home health web application in Rhode Island. This included reviewing the evidence base review to identify design recommendations and then creating a paper prototype and wireframe. We performed qualitative research to iteratively test our proposed user interface with two user groups, home health consumers and hospital case managers, refining our design to create the final web application. To test our prototype, we conducted two focus groups, with a total of 13 consumers, and 28 case manager interviews. Both user groups responded favorably to the prototype, with the majority commenting that they felt this type of tool would be useful. Case managers suggested revisions to ensure the application conformed to laws requiring Medicare patients to have the freedom to choose among providers and could be incorporated into hospital workflow. After incorporating changes and creating the wireframe, we conducted usability testing interviews with 14 home health consumers and six hospital case managers. We found that consumers needed prompting to navigate through the wireframe; they demonstrated confusion through both their words and body language. As a result, we modified the web application's sequence, navigation, and function to provide additional instructions and prompts. Although we designed our web application for low literacy and low health literacy, using recommendations from the evidence base, we overestimated the extent to which older adults were familiar with using computers. Some of our key learnings and recommendations run counter to general web design principles, leading us to believe that such guidelines need to be adapted for this user group. As web applications proliferate, it is important to ensure those who are most vulnerable-who have the least knowledge and the lowest literacy, health literacy, and computer proficiency-can access, understand, and use them. In order for the investment in public reporting to produce value, consumer-facing web applications need to be designed to address end users' unique strengths and limitations. Our findings may help others to build consumer-facing tools or technology targeted to a predominantly older population. We encourage others designing consumer-facing web technologies to critically evaluate their assumptions about user interface design, particularly if they are designing tools for older adults, and to test products with their end users.

Band Offsets at the Interface between Crystalline and Amorphous Silicon from First Principles

NASA Astrophysics Data System (ADS)

Jarolimek, K.; Hazrati, E.; de Groot, R. A.; de Wijs, G. A.

2017-07-01

The band offsets between crystalline and hydrogenated amorphous silicon (a -Si ∶H ) are key parameters governing the charge transport in modern silicon heterojunction solar cells. They are an important input for macroscopic simulators that are used to further optimize the solar cell. Past experimental studies, using x-ray photoelectron spectroscopy (XPS) and capacitance-voltage measurements, have yielded conflicting results on the band offset. Here, we present a computational study on the band offsets. It is based on atomistic models and density-functional theory (DFT). The amorphous part of the interface is obtained by relatively long DFT first-principles molecular-dynamics runs at an elevated temperature on 30 statistically independent samples. In order to obtain a realistic conduction-band position the electronic structure of the interface is calculated with a hybrid functional. We find a slight asymmetry in the band offsets, where the offset in the valence band (0.29 eV) is larger than in the conduction band (0.17 eV). Our results are in agreement with the latest XPS measurements that report a valence-band offset of 0.3 eV [M. Liebhaber et al., Appl. Phys. Lett. 106, 031601 (2015), 10.1063/1.4906195].

75 FR 80571 - Core Principles and Other Requirements for Designated Contract Markets

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-22

... Part II Commodity Futures Trading Commission 17 CFR Parts 1, 16, and 38 Core Principles and Other... CFR Parts 1, 16, and 38 RIN 3038-AD09 Core Principles and Other Requirements for Designated Contract... Principles 1. Subpart B--Designation as Contract Market 2. Subpart C--Compliance With Rules i. Proposed Sec...

Military Medical Decision Support for Homeland Defense During Emergency

DTIC Science & Technology

2004-12-01

abstraction hierarchy, three levels of information requirement for designing emergency training interface are recognized. These are epistemological ...support human decision making process is considered to be decision-centric. A typical decision-centric interface is supported by at least four design ... Designing Emergency Training Interface ......................................................................................... 5 Epistemological

Peptide Folding and Translocation Across the Water-Membrane Interface

NASA Technical Reports Server (NTRS)

Pohorille, Andrew; Chang, Sherwood (Technical Monitor)

1997-01-01

The ability of small peptides to organize at aqueous interfaces was examined by performing a series of large-scale, molecular dynamics computer simulations of several peptides composed of two amino acids, nonpolar leucine (L) and polar glutamine (Q). The peptides differed in size and sequence of the amino acids. Studies on dipeptides LL, LQ, QL and QQ were extended to two heptamers, LQQLLQL and LQLQLQL, designed to maximize interfacial stability of an alpha-helix and a beta-strand, respectively, by exposing polar side chains to water and nonpolar side chains to a nonpolar phase. Finally, a transition of an undecamer, composed entirely of leucine residues, from a disordered structure in water to an alpha-helix in a nonpolar phase representing the interior of the membrane was investigated. Complete folding of a peptide in solution was accomplished for the first time in computer simulations. The simulations revealed several basic principles governing the sequence-dependent organization of peptides at interfaces. Short peptides tend to accumulate at interfaces and acquire ordered structures, providing that they have a proper sequence of polar and nonpolar amino acids. The dominant factor determining the interfacial structure of peptides is the hydrophobic effect, which is manifested at aqueous interfaces as a tendency for polar and nonpolar groups of the solute to segregate into the aqueous and nonpolar phases, respectively. If peptides consist of nonpolar residue's only, they become inserted into the nonpolar phase. As demonstrated by the example of the leucine undecamer, such peptides fold into an alpha-helix as they partition into the nonpolar medium. The folding proceeds through an intermediate, called 3-10-helix, which remains in equilibrium with the alpha-helix. Once in the nonpolar environment, the peptides can readily change their orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with changing external conditions may have provided a simple mechanism of transmitting signals from the environment to the interior of a cell.

Irradiation-induced formation of a spinel phase at the FeCr/MgO interface

DOE PAGES

Xu, Yun; Yadav, Satyesh Kumar; Aguiar, Jeffery A.; ...

2015-04-27

Oxide dispersion strengthened ferritic/martensitic alloys have attracted significant attention for their potential uses in future nuclear reactors and storage vessels, as the metal/oxide interfaces act as stable high-strength sinks for point defects while also dispersing helium. Here, in order to unravel the evolution and interplay of interface structure and chemistry upon irradiation in these types of materials, an atomically sharp FeCr/MgO interface was synthesized at 500 °C and separately annealed and irradiated with Ni 3+ ions at 500 °C. After annealing, a slight enrichment of Cr atoms was observed at the interface, but no other structural changes were found. However,more » under irradiation, sufficient Cr diffuses across the interface into the MgO to form a Cr-enriched transition layer that contains spinel precipitates. First-principles calculations indicate that it is energetically favorable to incorporate Cr, but not Fe, substitutionally into MgO. Furthermore, our results indicate that irradiation can be used to form new phases and complexions at interfaces, which may have different radiation tolerance than the pristine structures.« less

School Building Designs: Principles and Challenges of the 21st Century.

ERIC Educational Resources Information Center

Chan, T. C.

2002-01-01

Reviews school-facility challenges and design principles described in 2000 U.S. Department of Education report on school planning and design. Describes additional school-facility design challenges and planning principles. Describes five critical facility-planning issues for the 21st Century. (Contains 14 references.) (PKP)

First-principles study of point defects at a semicoherent interface

DOE PAGES

Metsanurk, E.; Tamm, A.; Caro, A.; ...

2014-12-19

Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. Here, we show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single point defects do not delocalize, but remain compact near the interfacial plane in Cu-Nb multilayers. Lastly, we give a simple qualitative explanation for this difference on the basis of the well known limited transferability of empirical potentials.

Software handlers for process interfaces

NASA Technical Reports Server (NTRS)

Bercaw, R. W.

1976-01-01

Process interfaces are developed in an effort to reduce the time, effort, and money required to install computer systems. Probably the chief obstacle to the achievement of these goals lies in the problem of developing software handlers having the same degree of generality and modularity as the hardware. The problem of combining the advantages of modular instrumentation with those of modern multitask operating systems has not been completely solved, but there are a number of promising developments. The essential principles involved are considered.

Model for dynamic self-assembled magnetic surface structures

NASA Astrophysics Data System (ADS)

Belkin, M.; Glatz, A.; Snezhko, A.; Aranson, I. S.

2010-07-01

We propose a first-principles model for the dynamic self-assembly of magnetic structures at a water-air interface reported in earlier experiments. The model is based on the Navier-Stokes equation for liquids in shallow water approximation coupled to Newton equations for interacting magnetic particles suspended at a water-air interface. The model reproduces most of the observed phenomenology, including spontaneous formation of magnetic snakelike structures, generation of large-scale vortex flows, complex ferromagnetic-antiferromagnetic ordering of the snake, and self-propulsion of bead-snake hybrids.

A resource management tool for public health continuity of operations during disasters.

PubMed

Turner, Anne M; Reeder, Blaine; Wallace, James C

2013-04-01

We developed and validated a user-centered information system to support the local planning of public health continuity of operations for the Community Health Services Division, Public Health - Seattle & King County, Washington. The Continuity of Operations Data Analysis (CODA) system was designed as a prototype developed using requirements identified through participatory design. CODA uses open-source software that links personnel contact and licensing information with needed skills and clinic locations for 821 employees at 14 public health clinics in Seattle and King County. Using a web-based interface, CODA can visualize locations of personnel in relationship to clinics to assist clinic managers in allocating public health personnel and resources under dynamic conditions. Based on user input, the CODA prototype was designed as a low-cost, user-friendly system to inventory and manage public health resources. In emergency conditions, the system can run on a stand-alone battery-powered laptop computer. A formative evaluation by managers of multiple public health centers confirmed the prototype design's usefulness. Emergency management administrators also provided positive feedback about the system during a separate demonstration. Validation of the CODA information design prototype by public health managers and emergency management administrators demonstrates the potential usefulness of building a resource management system using open-source technologies and participatory design principles.

Starting Over: Current Issues in Online Catalog User Interface Design.

ERIC Educational Resources Information Center

Crawford, Walt

1992-01-01

Discussion of online catalogs focuses on issues in interface design. Issues addressed include understanding the user base; common user access (CUA) with personal computers; common command language (CCL); hyperlinks; screen design issues; differences from card catalogs; indexes; graphic user interfaces (GUIs); color; online help; and remote users.…

Design and implementation of an inter-agency, multi-mission space flight operations network interface

NASA Technical Reports Server (NTRS)

Byrne, R.; Scharf, M.; Doan, D.; Liu, J.; Willems, A.

2004-01-01

An advanced network interface was designed and implemented by a team from the Jet Propulsion Lab with support from the European Space Operations Center. This poster shows the requirements for the interface, the design, the topology, the testing and lessons learned from the whole implementation.

An Architectural Experience for Interface Design

ERIC Educational Resources Information Center

Gong, Susan P.

2016-01-01

The problem of human-computer interface design was brought to the foreground with the emergence of the personal computer, the increasing complexity of electronic systems, and the need to accommodate the human operator in these systems. With each new technological generation discovering the interface design problems of its own technologies, initial…

A CLIPS-based tool for aircraft pilot-vehicle interface design

NASA Technical Reports Server (NTRS)

Fowler, Thomas D.; Rogers, Steven P.

1991-01-01

The Pilot-Vehicle Interface of modern aircraft is the cognitive, sensory, and psychomotor link between the pilot, the avionics modules, and all other systems on board the aircraft. To assist pilot-vehicle interface designers, a C Language Integrated Production System (CLIPS) based tool was developed that allows design information to be stored in a table that can be modified by rules representing design knowledge. Developed for the Apple Macintosh, the tool allows users without any CLIPS programming experience to form simple rules using a point and click interface.

A density functional study of the effect of hydrogen on electronic properties and band discontinuity at anatase TiO2/diamond interface

NASA Astrophysics Data System (ADS)

Wu, Kongping; Liao, Meiyong; Sang, Liwen; Liu, Jiangwei; Imura, Masataka; Ye, Haitao; Koide, Yasuo

2018-04-01

Tailoring the electronic states of the dielectric oxide/diamond interface is critical to the development of next generation semiconductor devices like high-power high-frequency field-effect transistors. In this work, we investigate the electronic states of the TiO2/diamond 2 × 1-(100) interface by using first principles total energy calculations. Based on the calculation of the chemical potentials for the TiO2/diamond interface, it is observed that the hetero-interfaces with the C-OTi configuration or with two O vacancies are the most energetically favorable structures under the O-rich condition and under Ti-rich condition, respectively. The band structure and density of states of both TiO2/diamond and TiO2/H-diamond hetero-structures are calculated. It is revealed that there are considerable interface states at the interface of the anatase TiO2/diamond hetero-structure. By introducing H on the diamond surface, the interface states are significantly suppressed. A type-II alignment band structure is disclosed at the interface of the TiO2/diamond hetero-structure. The valence band offset increases from 0.6 to 1.7 eV when H is introduced at the TiO2/diamond interface.

Development and Alpha Testing of QuitIT: An Interactive Video Game to Enhance Skills for Coping With Smoking Urges.

PubMed

Krebs, Paul; Burkhalter, Jack E; Snow, Bert; Fiske, Jeff; Ostroff, Jamie S

2013-09-11

Despite many efforts at developing relapse prevention interventions, most smokers relapse to tobacco use within a few months after quitting. Interactive games offer a novel strategy for helping people develop the skills required for successful tobacco cessation. The objective of our study was to develop a video game that enables smokers to practice strategies for coping with smoking urges and maintaining smoking abstinence. Our team of game designers and clinical psychologists are creating a video game that integrates the principles of smoking behavior change and relapse prevention. We have reported the results of expert and end-user feedback on an alpha version of the game. The alpha version of the game consisted of a smoking cue scenario often encountered by smokers. We recruited 5 experts in tobacco cessation research and 20 current and former smokers, who each played through the scenario. Mixed methods were used to gather feedback on the relevance of cessation content and usability of the game modality. End-users rated the interface from 3.0 to 4.6/5 in terms of ease of use and from 2.9 to 4.1/5 in terms of helpfulness of cessation content. Qualitative themes showed several user suggestions for improving the user interface, pacing, and diversity of the game characters. In addition, the users confirmed a high degree of game immersion, identification with the characters and situations, and appreciation for the multiple opportunities to practice coping strategies. This study highlights the procedures for translating behavioral principles into a game dynamic and shows that our prototype has a strong potential for engaging smokers. A video game modality exemplifies problem-based learning strategies for tobacco cessation and is an innovative step in behavioral management of tobacco use.

Principles to Products: Toward Realizing MOS 2.0

NASA Technical Reports Server (NTRS)

Bindschadler, Duane L.; Delp, Christopher L.

2012-01-01

This is a report on the Operations Revitalization Initiative, part of the ongoing NASA-funded Advanced Multi-Mission Operations Systems (AMMOS) program. We are implementing products that significantly improve efficiency and effectiveness of Mission Operations Systems (MOS) for deep-space missions. We take a multi-mission approach, in keeping with our organization's charter to "provide multi-mission tools and services that enable mission customers to operate at a lower total cost to NASA." Focusing first on architectural fundamentals of the MOS, we review the effort's progress. In particular, we note the use of stakeholder interactions and consideration of past lessons learned to motivate a set of Principles that guide the evolution of the AMMOS. Thus guided, we have created essential patterns and connections (detailed in companion papers) that are explicitly modeled and support elaboration at multiple levels of detail (system, sub-system, element...) throughout a MOS. This architecture is realized in design and implementation products that provide lifecycle support to a Mission at the system and subsystem level. The products include adaptable multi-mission engineering documentation that describes essentials such as operational concepts and scenarios, requirements, interfaces and agreements, information models, and mission operations processes. Because we have adopted a model-based system engineering method, these documents and their contents are meaningfully related to one another and to the system model. This means they are both more rigorous and reusable (from mission to mission) than standard system engineering products. The use of models also enables detailed, early (e.g., formulation phase) insight into the impact of changes (e.g., to interfaces or to software) that is rigorous and complete, allowing better decisions on cost or technical trades. Finally, our work provides clear and rigorous specification of operations needs to software developers, further enabling significant gains in productivity.

The design and implementation of urban earthquake disaster loss evaluation and emergency response decision support systems based on GIS

NASA Astrophysics Data System (ADS)

Yang, Kun; Xu, Quan-li; Peng, Shuang-yun; Cao, Yan-bo

2008-10-01

Based on the necessity analysis of GIS applications in earthquake disaster prevention, this paper has deeply discussed the spatial integration scheme of urban earthquake disaster loss evaluation models and visualization technologies by using the network development methods such as COM/DCOM, ActiveX and ASP, as well as the spatial database development methods such as OO4O and ArcSDE based on ArcGIS software packages. Meanwhile, according to Software Engineering principles, a solution of Urban Earthquake Emergency Response Decision Support Systems based on GIS technologies have also been proposed, which include the systems logical structures, the technical routes,the system realization methods and function structures etc. Finally, the testing systems user interfaces have also been offered in the paper.

Commissioning of the FTS-2 Data Reduction Pipeline

NASA Astrophysics Data System (ADS)

Sherwood, M.; Naylor, D.; Gom, B.; Bell, G.; Friberg, P.; Bintley, D.

2015-09-01

FTS-2 is the intermediate resolution Fourier Transform Spectrometer coupled to the SCUBA-2 facility bolometer camera at the James Clerk Maxwell Telescope in Hawaii. Although in principle FTS instruments have the advantage of relatively simple optics compared to other spectrometers, they require more sophisticated data processing to compute spectra from the recorded interferogram signal. In the case of FTS-2, the complicated optical design required to interface with the existing telescope optics introduces performance compromises that complicate spectral and spatial calibration, and the response of the SCUBA-2 arrays introduce interferogram distortions that are a challenge for data reduction algorithms. We present an overview of the pipeline and discuss new algorithms that have been written to correct the noise introduced by unexpected behavior of the SCUBA-2 arrays.

What makes a good clinical app? Introducing the RCP Health Informatics Unit checklist.

PubMed

Wyatt, Jeremy C; Thimbleby, Harold; Rastall, Paul; Hoogewerf, Jan; Wooldridge, Darren; Williams, John

2015-12-01

Doctors increasingly rely on medical apps running on smart phones or tablet computers to support their work. However, these apps vary hugely in the quality of their data input screens, internal data processing, the methods used to handle sensitive patient data and how they communicate their output to the user. Inspired by Donabedian's approach to assessing quality and the principles of good user interface design, the Royal College of Physicians' Health Informatics Unit has developed and piloted an 18-item checklist to help clinicians assess the structure, functions and impact of medical apps. Use of this checklist should help clinicians to feel more confident about using medical apps themselves, about recommending them to their staff or prescribing them for patients. © Royal College of Physicians 2015. All rights reserved.

Emerging issues and current trends in assistive technology use 2007-2010: practising, assisting and enabling learning for all.

PubMed

Abbott, Chris; Brown, David; Evett, Lindsay; Standen, Penny

2014-11-01

Following an earlier review in 2007, a further review of the academic literature relating to the uses of assistive technology (AT) by children and young people was completed, covering the period 2007-2011. As in the earlier review, a tripartite taxonomy: technology uses to train or practise, technology uses to assist learning and technology uses to enable learning, was used in order to structure the findings. The key markers for research in this field and during these three years were user involvement, AT on mobile mainstream devices, the visibility of AT, technology for interaction and collaboration, new and developing interfaces and inclusive design principles. The paper concludes by locating these developments within the broader framework of the Digital Divide.

Image processing and applications based on visualizing navigation service

NASA Astrophysics Data System (ADS)

Hwang, Chyi-Wen

2015-07-01

When facing the "overabundant" of semantic web information, in this paper, the researcher proposes the hierarchical classification and visualizing RIA (Rich Internet Application) navigation system: Concept Map (CM) + Semantic Structure (SS) + the Knowledge on Demand (KOD) service. The aim of the Multimedia processing and empirical applications testing, was to investigating the utility and usability of this visualizing navigation strategy in web communication design, into whether it enables the user to retrieve and construct their personal knowledge or not. Furthermore, based on the segment markets theory in the Marketing model, to propose a User Interface (UI) classification strategy and formulate a set of hypermedia design principles for further UI strategy and e-learning resources in semantic web communication. These research findings: (1) Irrespective of whether the simple declarative knowledge or the complex declarative knowledge model is used, the "CM + SS + KOD navigation system" has a better cognition effect than the "Non CM + SS + KOD navigation system". However, for the" No web design experience user", the navigation system does not have an obvious cognition effect. (2) The essential of classification in semantic web communication design: Different groups of user have a diversity of preference needs and different cognitive styles in the CM + SS + KOD navigation system.

Multiscale Principles To Boost Reactivity in Gas-Involving Energy Electrocatalysis.

PubMed

Tang, Cheng; Wang, Hao-Fan; Zhang, Qiang

2018-04-17

Various gas-involving energy electrocatalysis, including oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER), has witnessed increasing concerns recently for the sake of clean, renewable, and efficient energy technologies. However, these heterogeneous reactions exhibit sluggish kinetics due to multistep electron transfer and only occur at triple-phase boundary regions. Up to now, tremendous attention has been attracted to develop cost-effective and high-performance electrocatalysts to boost the electrocatalytic activities as promising alternatives to noble metal counterparts. In addition to the prolific achievements in materials science, the advances in interface chemistry are also very critical in consideration of the complex phenomena proceeded at triple-phase boundary regions, such as mass diffusion, electron transfer, and surface reaction. Therefore, insightful principles and effective strategies for a comprehensive optimization, ranging from active sites to electrochemical interface, are necessary to fully enhance the electrocatalytic performance aiming at practical device applications. In this Account, we give an overview of our recent attempts toward efficient gas-involving electrocatalysis with multiscale principles from the respect of electronic structure, hierarchical morphology, and electrode interface step by step. It is widely accepted that the intrinsic activity of individual active sites is directly influenced by their electronic structure. Heteroatom doping and topological defects are demonstrated to be the most effective strategies for metal-free nanocarbon materials, while the cationic (e.g., Ni, Fe, Co, Sn) and anionic (e.g., O, S, OH) regulation is revealed to be a promising method for transition metal compounds, to alter the electronic structure and generate high activity. Additionally, the apparent activity of the whole electrocatalyst is significantly impacted by its hierarchical morphology. The active sites of nanocarbon materials are expected to be enriched on the surface for a full exposure and utilization; the hybridization of other active components with nanocarbon materials should achieve a uniform dispersion in nanoscale and a strongly coupled interface, thereby ensuring the electron transfer and boosting the activity. Furthermore, steady and favorable electrochemical interfaces are strongly anticipated in working electrodes for optimal reaction conditions. The powdery electrocatalysts are suggested to be constructed into self-supported electrodes for more efficient and stable catalysis integrally, while the local microenvironment can be versatilely modified by ionic liquids with more beneficial gas solubility and hydrophobicity. Collectively, with the all-round regulation of the electronic structure, hierarchical morphology, and electrode interface, the electrocatalytic performances are demonstrated to be comprehensively facilitated. Such multiscale principles stemmed from the in-depth insights on the structure-activity relationship and heterogeneous reaction characteristics will no doubt pave the way for the future development of gas-involving energy electrocatalysis, and also afford constructive inspirations in a broad range of research including CO 2 reduction reaction, hydrogen peroxide production, nitrogen reduction reaction, and other important electrocatalytic activation of small molecules.

DCS (Defense Communications System) Technical Control Engineering Criteria. Revision 1

DTIC Science & Technology

1981-05-01

Switched Network 5-9-14 5.9.6(g) Application of Principle of Time-Slot Interchange for Alt-Routing 5-9-15 5.9.6(h) Digital Interface (typical...is an approximate chart and does not take into account signal degradations which may be caused by frame cross-connects, patch jacks, or splices...Manual, TSEC/KG-30/30A/33A/34/34A Volume I - Description, Installation, and Principles of Operation KAM-238/TSEC Maintenance Maliual TSEC/KG-30/30A/33/33A

Accurate, reliable prototype earth horizon sensor head

NASA Technical Reports Server (NTRS)

Schwarz, F.; Cohen, H.

1973-01-01

The design and performance is described of an accurate and reliable prototype earth sensor head (ARPESH). The ARPESH employs a detection logic 'locator' concept and horizon sensor mechanization which should lead to high accuracy horizon sensing that is minimally degraded by spatial or temporal variations in sensing attitude from a satellite in orbit around the earth at altitudes in the 500 km environ 1,2. An accuracy of horizon location to within 0.7 km has been predicted, independent of meteorological conditions. This corresponds to an error of 0.015 deg-at 500 km altitude. Laboratory evaluation of the sensor indicates that this accuracy is achieved. First, the basic operating principles of ARPESH are described; next, detailed design and construction data is presented and then performance of the sensor under laboratory conditions in which the sensor is installed in a simulator that permits it to scan over a blackbody source against background representing the earth space interface for various equivalent plant temperatures.

Enhanced dynamics of hydrated tRNA on nanodiamond surfaces: A combined neutron scattering and MD simulation study

DOE PAGES

Dhindsa, Gurpreet K.; Bhowmik, Debsindhu; Goswami, Monojoy; ...

2016-09-01

Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on NDmore » surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. As a result, our new findings may provide new design principles for safer, improved drug delivery platforms.« less

Molecular helices as electron acceptors in high-performance bulk heterojunction solar cells

DOE PAGES

Yu M. Zhong; Nam, Chang -Yong; Trinh, M. Tuan; ...

2015-09-18

Despite numerous organic semiconducting materials synthesized for organic photovoltaics in the past decade, fullerenes are widely used as electron acceptors in highly efficient bulk-heterojunction solar cells. None of the non-fullerene bulk heterojunction solar cells have achieved efficiencies as high as fullerene-based solar cells. Design principles for fullerene-free acceptors remain unclear in the field. Here we report examples of helical molecular semiconductors as electron acceptors that are on par with fullerene derivatives in efficient solar cells. We achieved an 8.3% power conversion efficiency in a solar cell, which is a record high for non-fullerene bulk heterojunctions. Femtosecond transient absorption spectroscopy revealedmore » both electron and hole transfer processes at the donor–acceptor interfaces. Atomic force microscopy reveals a mesh-like network of acceptors with pores that are tens of nanometres in diameter for efficient exciton separation and charge transport. As a result, this study describes a new motif for designing highly efficient acceptors for organic solar cells.« less

Molecular helices as electron acceptors in high-performance bulk heterojunction solar cells.

PubMed

Zhong, Yu; Trinh, M Tuan; Chen, Rongsheng; Purdum, Geoffrey E; Khlyabich, Petr P; Sezen, Melda; Oh, Seokjoon; Zhu, Haiming; Fowler, Brandon; Zhang, Boyuan; Wang, Wei; Nam, Chang-Yong; Sfeir, Matthew Y; Black, Charles T; Steigerwald, Michael L; Loo, Yueh-Lin; Ng, Fay; Zhu, X-Y; Nuckolls, Colin

2015-09-18

Despite numerous organic semiconducting materials synthesized for organic photovoltaics in the past decade, fullerenes are widely used as electron acceptors in highly efficient bulk-heterojunction solar cells. None of the non-fullerene bulk heterojunction solar cells have achieved efficiencies as high as fullerene-based solar cells. Design principles for fullerene-free acceptors remain unclear in the field. Here we report examples of helical molecular semiconductors as electron acceptors that are on par with fullerene derivatives in efficient solar cells. We achieved an 8.3% power conversion efficiency in a solar cell, which is a record high for non-fullerene bulk heterojunctions. Femtosecond transient absorption spectroscopy revealed both electron and hole transfer processes at the donor-acceptor interfaces. Atomic force microscopy reveals a mesh-like network of acceptors with pores that are tens of nanometres in diameter for efficient exciton separation and charge transport. This study describes a new motif for designing highly efficient acceptors for organic solar cells.

Three-dimensional nano-biointerface as a new platform for guiding cell fate.

PubMed

Liu, Xueli; Wang, Shutao

2014-04-21

Three-dimensional nano-biointerface has been emerging as an important topic for chemistry, nanotechnology, and life sciences in recent years. Understanding the exchanges of materials, signals, and energy at biological interfaces has inspired and helped the serial design of three-dimensional nano-biointerfaces. The intimate interactions between cells and nanostructures bring many novel properties, making three-dimensional nano-biointerfaces a powerful platform to guide cell fate in a controllable and accurate way. These advantages and capabilities endow three-dimensional nano-biointerfaces with an indispensable role in developing advanced biological science and technology. This tutorial review is mainly focused on the recent progress of three-dimensional nano-biointerfaces and highlights the new explorations and unique phenomena of three-dimensional nano-biointerfaces for cell-related fundamental studies and biomedical applications. Some basic bio-inspired principles for the design and creation of three-dimensional nano-biointerfaces are also delivered in this review. Current and further challenges of three-dimensional nano-biointerfaces are finally addressed and proposed.

A temperature characteristic research and compensation design for micro-machined gyroscope

NASA Astrophysics Data System (ADS)

Fu, Qiang; di, Xin-Peng; Chen, Wei-Ping; Yin, Liang; Liu, Xiao-Wei

2017-02-01

The all temperature range stability is the most important technology of MEMS angular velocity sensor according to the principle of capacity detecting. The correlation between driven force and zero-point of sensor is summarized according to the temperature characteristic of the air-damping and resonant frequency of sensor header. A constant trans-conductance high-linearity amplifier is designed to realize the low phase-drift and low amplitude-drift interface circuit at all-temperature range. The chip is fabricated in a standard 0.5 μm CMOS process. Compensation achieved by driven force to zero-point drift caused by the stiffness of physical construction and air-damping is adopted. Moreover, the driven force can be obtained from the drive-circuit to avoid the complex sampling. The test result shows that the zero-point drift is lower than 30∘/h (1-sigma) at the temperature range from -40∘C to 60∘C after three-order compensation made by driven force.

Software design and implementation concepts for an interoperable medical communication framework.

PubMed

Besting, Andreas; Bürger, Sebastian; Kasparick, Martin; Strathen, Benjamin; Portheine, Frank

2018-02-23

The new IEEE 11073 service-oriented device connectivity (SDC) standard proposals for networked point-of-care and surgical devices constitutes the basis for improved interoperability due to its independence of vendors. To accelerate the distribution of the standard a reference implementation is indispensable. However, the implementation of such a framework has to overcome several non-trivial challenges. First, the high level of complexity of the underlying standard must be reflected in the software design. An efficient implementation has to consider the limited resources of the underlying hardware. Moreover, the frameworks purpose of realizing a distributed system demands a high degree of reliability of the framework itself and its internal mechanisms. Additionally, a framework must provide an easy-to-use and fail-safe application programming interface (API). In this work, we address these challenges by discussing suitable software engineering principles and practical coding guidelines. A descriptive model is developed that identifies key strategies. General feasibility is shown by outlining environments in which our implementation has been utilized.