Higher-order mode photonic crystal based nanofluidic sensor

NASA Astrophysics Data System (ADS)

Peng, Wang; Chen, Youping; Ai, Wu

2017-01-01

A higher-order photonic crystal (PC) based nanofluidic sensor, which worked at 532 nm, was designed and demonstrated. A systematical and detailed method for sculpturing a PC sensor for a given peak wavelength value (PWV) and specified materials was illuminated. It was the first time that the higher order mode was used to design PC based nanofluidic sensor, and the refractive index (RI) sensitivity of this sensor had been verified with FDTD simulation software from Lumerical. The enhanced electrical field of higher order mode structure was mostly confined in the channel area, where the enhance field is wholly interacting with the analytes in the channels. The comparison of RI sensitivity between fundamental mode and higher order mode shows the RI variation of higher order mode is 124.5 nm/RIU which is much larger than the fundamental mode. The proposed PC based nanofluidic structure pioneering a novel style for future optofluidic design.

Fundamental Structure of High-Speed Reacting Flows: Supersonic Combustion and Detonation

DTIC Science & Technology

2016-04-30

AFRL-AFOSR-VA-TR-2016-0195 Fundamental Structure of High-Speed Reacting Flows: Supersonic Combustion and Detonation Kenneth Yu MARYLAND UNIV COLLEGE...MARCH 2016 4. TITLE AND SUBTITLE FUNDAMENTAL STRUCTURE OF HIGH-SPEED REACTING FLOWS: SUPERSONIC COMBUSTION AND DETONATION 5a. CONTRACT NUMBER...public release. Final Report on Fundamental Structure of High-Speed Reacting Flows: Supersonic Combustion and Detonation Grant

Disruptive Technology: An Uncertain Future

DTIC Science & Technology

2005-05-21

Technology that overturns market -- Military - Technology that causes a fundamental change in force structure, basing, and capability balance * Disruptive Technologies may arise from systems or enabling technology.

Cybermaterials: materials by design and accelerated insertion of materials

NASA Astrophysics Data System (ADS)

Xiong, Wei; Olson, Gregory B.

2016-02-01

Cybermaterials innovation entails an integration of Materials by Design and accelerated insertion of materials (AIM), which transfers studio ideation into industrial manufacturing. By assembling a hierarchical architecture of integrated computational materials design (ICMD) based on materials genomic fundamental databases, the ICMD mechanistic design models accelerate innovation. We here review progress in the development of linkage models of the process-structure-property-performance paradigm, as well as related design accelerating tools. Extending the materials development capability based on phase-level structural control requires more fundamental investment at the level of the Materials Genome, with focus on improving applicable parametric design models and constructing high-quality databases. Future opportunities in materials genomic research serving both Materials by Design and AIM are addressed.

Second Harmonic Generation of Unpolarized Light

NASA Astrophysics Data System (ADS)

Ding, Changqin; Ulcickas, James R. W.; Deng, Fengyuan; Simpson, Garth J.

2017-11-01

A Mueller tensor mathematical framework was applied for predicting and interpreting the second harmonic generation (SHG) produced with an unpolarized fundamental beam. In deep tissue imaging through SHG and multiphoton fluorescence, partial or complete depolarization of the incident light complicates polarization analysis. The proposed framework has the distinct advantage of seamlessly merging the purely polarized theory based on the Jones or Cartesian susceptibility tensors with a more general Mueller tensor framework capable of handling partial depolarized fundamental and/or SHG produced. The predictions of the model are in excellent agreement with experimental measurements of z -cut quartz and mouse tail tendon obtained with polarized and depolarized incident light. The polarization-dependent SHG produced with unpolarized fundamental allowed determination of collagen fiber orientation in agreement with orthogonal methods based on image analysis. This method has the distinct advantage of being immune to birefringence or depolarization of the fundamental beam for structural analysis of tissues.

Material nature versus structural nurture: the embodied carbon of fundamental structural elements.

PubMed

Purnell, P

2012-01-03

The construction industry is under considerable legislative pressure to reduce its CO(2) emissions. The current focus is on operational CO(2) emissions, but as these are compulsorily reduced, the embodied CO(2) of structural components, overwhelmingly attributable to the material from which they are manufactured, will become of greater interest. Choice of structural materials for minimal embodied CO(2) is currently based either on subjective narrative arguments, or values of embodied CO(2) per unit volume or mass. Here we show that such arguments are invalid. We found that structural design parameters (dimensions, section choice, and load capacity) for fundamental structural components (simple beams and columns) are at least as important as material choice with regard to their effect on embodied CO(2) per unit load capacity per unit dimension, which can vary over several decades within and between material choices. This result demonstrates that relying on apparently objective analyses based on embodied CO(2) per unit volume or mass will not lead to minimum carbon solutions; a formal definition of the correct functional unit for embodied CO(2) must be used. In short, there is no such thing as a green structural material.

PREDICTION OF THE SOLUBILITY, ACTIVITY COEFFICIENT AND LIQUID/LIQUID PARTITION COEFFICIENT OF ORGANIC COMPOUNDS

EPA Science Inventory

Solvation models, based on fundamental chemical structure theory, were developed in the SPARC mechanistic tool box to predict a large array of physical properties of organic compounds in water and in non-aqueous solvents strictly from molecular structure. The SPARC self-interact...

Near-Field Sound Localization Based on the Small Profile Monaural Structure

PubMed Central

Kim, Youngwoong; Kim, Keonwook

2015-01-01

The acoustic wave around a sound source in the near-field area presents unconventional properties in the temporal, spectral, and spatial domains due to the propagation mechanism. This paper investigates a near-field sound localizer in a small profile structure with a single microphone. The asymmetric structure around the microphone provides a distinctive spectral variation that can be recognized by the dedicated algorithm for directional localization. The physical structure consists of ten pipes of different lengths in a vertical fashion and rectangular wings positioned between the pipes in radial directions. The sound from an individual direction travels through the nearest open pipe, which generates the particular fundamental frequency according to the acoustic resonance. The Cepstral parameter is modified to evaluate the fundamental frequency. Once the system estimates the fundamental frequency of the received signal, the length of arrival and angle of arrival (AoA) are derived by the designed model. From an azimuthal distance of 3–15 cm from the outer body of the pipes, the extensive acoustic experiments with a 3D-printed structure show that the direct and side directions deliver average hit rates of 89% and 73%, respectively. The closer positions to the system demonstrate higher accuracy, and the overall hit rate performance is 78% up to 15 cm away from the structure body. PMID:26580618

Femtosecond laser induced concentric semi-circular periodic surface structures on silicon based on the quasi-plasmonic annular nanostructure.

PubMed

Han, Weina; Liu, Furong; Yuan, Yanping; Li, Xiaowei; Wang, Qingsong; Wang, Shaojun; Jiang, Lan

2018-05-04

In this study, we report polarization-dependent concentric circular periodic surface structures on Si induced by a single shot femtosecond (fs) laser pulse based on pre-processed quasi-plasmonic annular-shaped nanostructure. An abnormal annular-shaped energy deposition of the fundamental fs laser pulse can be found by using dual-wavelength superposition of the fundamental frequency (ω) and the second-harmonic frequency (2ω) of an fs Ti:sapphire laser, which is confirmed by real beam shape detection. Based on the annular-shaped energy distribution of dual-wavelength fs laser, a concentric quasi-plasmonic corral nanostructure can be imprinted on the Au thin film. Surface plasmon polaritons (SPPs) excitations on the planar metallic nanostructures enable the manipulation of light on subwavelength scales. Thus, the pre-processed concentric quasi-plasmonic corral nanostructure can act as a precursor for the subsequent SPPs excitation and propagation by the fs laser irradiation. Using this technique, polarization-dependent semi-circular periodic surface structures on silicon can be found by the irradiation of fs laser pulse with only one shot. This research provides an additional freedom for the laser induced periodic surface structure (LIPSS) modulation based on the modulation of SPPs excitation and propagation, which plays an important role in the formation of LIPSS.

Femtosecond laser induced concentric semi-circular periodic surface structures on silicon based on the quasi-plasmonic annular nanostructure

NASA Astrophysics Data System (ADS)

Han, Weina; Liu, Furong; Yuan, Yanping; Li, Xiaowei; Wang, Qingsong; Wang, Shaojun; Jiang, Lan

2018-07-01

In this study, we report polarization-dependent concentric circular periodic surface structures on Si induced by a single shot femtosecond (fs) laser pulse based on pre-processed quasi-plasmonic annular-shaped nanostructure. An abnormal annular-shaped energy deposition of the fundamental fs laser pulse can be found by using dual-wavelength superposition of the fundamental frequency (ω) and the second-harmonic frequency (2ω) of an fs Ti:sapphire laser, which is confirmed by real beam shape detection. Based on the annular-shaped energy distribution of dual-wavelength fs laser, a concentric quasi-plasmonic corral nanostructure can be imprinted on the Au thin film. Surface plasmon polaritons (SPPs) excitations on the planar metallic nanostructures enable the manipulation of light on subwavelength scales. Thus, the pre-processed concentric quasi-plasmonic corral nanostructure can act as a precursor for the subsequent SPPs excitation and propagation by the fs laser irradiation. Using this technique, polarization-dependent semi-circular periodic surface structures on silicon can be found by the irradiation of fs laser pulse with only one shot. This research provides an additional freedom for the laser induced periodic surface structure (LIPSS) modulation based on the modulation of SPPs excitation and propagation, which plays an important role in the formation of LIPSS.

Theoretical Study of tip apex electronic structure in Scanning Tunneling Microscope

NASA Astrophysics Data System (ADS)

Choi, Heesung; Huang, Min; Randall, John; Cho, Kyeongjae

2011-03-01

Scanning Tunneling Microscope (STM) has been widely used to explore diverse surface properties with an atomic resolution, and STM tip has played a critical role in controlling surface structures. However, detailed information of atomic and electronic structure of STM tip and the fundamental understanding of STM images are still incomplete. Therefore, it is important to develop a comprehensive understanding of the electronic structure of STM tip. We have studied the atomic and electronic structures of STM tip with various transition metals (TMs) by DFT method. The d-electrons of TM tip apex atoms show different orbital states near the Fermi level. We will present comprehensive data of STM tips from our DFT calculation. Verified quantification of the tip electronic structures will lead to fundamental understanding of STM tip structure-property relationship. This work is supported by the DARPA TBN Program and the Texas ETF. DARPA Tip Based Nanofabrication Program and the Emerging Technology Fund of the State of Texas.

Characterizing the Fundamental Intellectual Steps Required in the Solution of Conceptual Problems

NASA Astrophysics Data System (ADS)

Stewart, John

2010-02-01

At some level, the performance of a science class must depend on what is taught, the information content of the materials and assignments of the course. The introductory calculus-based electricity and magnetism class at the University of Arkansas is examined using a catalog of the basic reasoning steps involved in the solution of problems assigned in the class. This catalog was developed by sampling popular physics textbooks for conceptual problems. The solution to each conceptual problem was decomposed into its fundamental reasoning steps. These fundamental steps are, then, used to quantify the distribution of conceptual content within the course. Using this characterization technique, an exceptionally detailed picture of the information flow and structure of the class can be produced. The intellectual structure of published conceptual inventories is compared with the information presented in the class and the dependence of conceptual performance on the details of coverage extracted. )

A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs.

PubMed

Marchetti, Barbara; Karsili, Tolga N V; Ashfold, Michael N R; Domcke, Wolfgang

2016-07-27

The availability of non-radiative decay mechanisms by which photoexcited molecules can revert to their ground electronic state, without experiencing potentially deleterious chemical transformation, is fundamental to molecular photostability. This Perspective Article combines results of new ab initio electronic structure calculations and prior experimental data in an effort to systematise trends in the non-radiative decay following UV excitation of selected families of heterocyclic molecules. We start with the prototypical uni- and bicyclic molecules phenol and indole, and explore the structural and photophysical consequences of incorporating progressively more nitrogen atoms within the respective ring structures en route to the DNA bases thymine, cytosine, adenine and guanine. For each of the latter, we identify low energy non-radiative decay pathways via conical intersections with the ground state potential energy surface accessed by out-of-plane ring deformations. This is followed by summary descriptions and illustrations of selected rival (electron driven H atom transfer) non-radiative excited state decay processes that demand consideration once the nucleobases are merely components in larger biomolecular systems like nucleosides, and both individual and stacked base-pairs.

Protein based Block Copolymers

PubMed Central

Rabotyagova, Olena S.; Cebe, Peggy; Kaplan, David L.

2011-01-01

Advances in genetic engineering have led to the synthesis of protein-based block copolymers with control of chemistry and molecular weight, resulting in unique physical and biological properties. The benefits from incorporating peptide blocks into copolymer designs arise from the fundamental properties of proteins to adopt ordered conformations and to undergo self-assembly, providing control over structure formation at various length scales when compared to conventional block copolymers. This review covers the synthesis, structure, assembly, properties, and applications of protein-based block copolymers. PMID:21235251

Implementing Problem Based Learning through Engineers without Borders Student Projects

ERIC Educational Resources Information Center

Wittig, Ann

2013-01-01

Engineers Without Borders USA (EWB) is a nonprofit organization that partners student chapters with communities in fundamental need of potable water, clean air, sanitation, irrigation, energy, basic structures for schools and clinics, roads and bridges, etc. While EWB projects may vary in complexity, they are all realistic, ill-structured and…

Roderick MacKinnon and Ion Channels - Potassium Channels and Sodium

Science.gov Websites

very first potassium channel structure, which revealed the way that positively charged potassium ions explain how a fundamental feedback loop worked. Now, with the structure of the voltage-dependent ion channel, based on research carried out at The Rockefeller University, the National Synchrotron Light

Improved understanding of protein complex offers insight into DNA

Science.gov Websites

replication - through its crystal structure offers new insight into fundamental mechanisms of DNA replication Advanced Photon Source (APS), a U.S. Department of Energy User Facility based at Argonne National Laboratory, to obtain the first atomic-level resolution picture of this complex. The structure shows that

Teaching Emotions in Higher Education: An Emotional Rollercoaster

ERIC Educational Resources Information Center

Evans, Thomas Rhys; Steptoe-Warren, Gail

2015-01-01

Emotions are fundamental to understanding many phenomena in psychology; however, there are currently no emotion-specific evidence-based teaching practices. The current study evaluates an innovative new active learning-based teaching activity, designed to provide a structure for discussions around emotion. Small groups of third-year psychology…

Effect of benzocaine and propranolol on phospholipid-based bilayers.

PubMed

Mangiapia, G; Gvaramia, M; Kuhrts, L; Teixeira, J; Koutsioubas, A; Soltwedel, O; Frielinghaus, H

2017-12-06

Cell membranes play a fundamental role in protecting the cell from its surroundings, in addition to hosting many proteins with fundamental biological tasks. A study of drug/lipid interactions is a necessary and important step in fully clarifying the role and action mechanism of active ingredients, and shedding light on possible complications caused by drug overdosage. In this paper, the influence of benzocaine and propranolol drugs on the structure of l-α-phosphatidylcholine-based membranes has been investigated by means of neutron reflectivity, grazing incidence small angle neutron scattering, and small/ultra-small angle neutron scattering. Investigations allowed discovering a stiffening of the membranes and the formation of stalks, caused by the presence of benzocaine. On the other hand, disordered bilayers (lamellar powders) and highly curved structures were found in the presence of propranolol. The results obtained may be rationalized in terms of the molecular structures of drugs and may serve as a starting point for explaining the toxic behavior in long-term and overdosage scenarios.

Experimental Realization of a Reflections-Free Compact Delay Line Based on a Photonic Topological Insulator

PubMed Central

Lai, Kueifu; Ma, Tsuhsuang; Bo, Xiao; Anlage, Steven; Shvets, Gennady

2016-01-01

Electromagnetic (EM) waves propagating through an inhomogeneous medium are generally scattered whenever the medium’s electromagnetic properties change on the scale of a single wavelength. This fundamental phenomenon constrains how optical structures are designed and interfaced with each other. Recent theoretical work indicates that electromagnetic structures collectively known as photonic topological insulators (PTIs) can be employed to overcome this fundamental limitation, thereby paving the way for ultra-compact photonic structures that no longer have to be wavelength-scale smooth. Here we present the first experimental demonstration of a photonic delay line based on topologically protected surface electromagnetic waves (TPSWs) between two PTIs which are the EM counterparts of the quantum spin-Hall topological insulators in condensed matter. Unlike conventional guided EM waves that do not benefit from topological protection, TPSWs are shown to experience multi-wavelength reflection-free time delays when detoured around sharply-curved paths, thus offering a unique paradigm for compact and efficient wave buffers and other devices. PMID:27345575

An Independent Asteroseismic Analysis of the Fundamental Parameters and Internal Structure of the Solar-like Oscillator KIC 6225718

NASA Astrophysics Data System (ADS)

Wu, Tao; Li, Yan

2017-09-01

Asteroseismology is a useful tool that is usually used to probe stellar interiors and to determine stellar fundamental parameters, such as stellar mass, radius, and surface gravity. In order to probe stellar interiors, making comparisons between observations and models is usually used with the {χ }2-minimization method. The work of Wu & Li reported that the best parameter determined by the {χ }2-matching process is the acoustic radius for pure p-mode oscillations. In the present work, based on the theoretical calculations of Wu & Li, we will independently analyze the seismic observations of KIC 6225718 to determine its fundamental parameters and to investigate its interior properties. First, in order to test the method, we use it in the Sun to determine its fundamental parameters and to investigate interiors. Second, we independently determine the fundamental parameters of KIC 6225718 without any other non-seismic constraint. Therefore, those determined fundamental parameters are independent of those determined by other methods. They can be regarded as independent references in other analyses. Finally, we analyze the stellar internal structure and find that KIC 6225718 has a convective core with the size of 0.078-0.092 {R}⊙ . Its overshooting parameter {f}{ov} in the core is around 0.010. In addition, its center hydrogen {X}{{c}} is about 0.264-0.355.

Fundamental movement skills and motivational factors influencing engagement in physical activity.

PubMed

Kalaja, Sami; Jaakkola, Timo; Liukkonen, Jarmo; Watt, Anthony

2010-08-01

To assess whether subgroups based on children's fundamental movement skills, perceived competence, and self-determined motivation toward physical education vary with current self-reported physical activity, a sample of 316 Finnish Grade 7 students completed fundamental movement skills measures and self-report questionnaires assessing perceived competence, self-determined motivation toward physical education, and current physical activity. Cluster analysis indicated a three-cluster structure: "Low motivation/low skills profile," "High skills/low motivation profile," and "High skills/high motivation profile." Analysis of variance indicated that students in the third cluster engaged in significantly more physical activity than students of clusters one and two. These results provide support for previous claims regarding the importance of the relationship of fundamental movement skills with continuing engagement in physical activity. High fundamental movement skills, however, may represent only one element in maintaining adolescents' engagement in physical activity.

The Applicability of Market-Based Solutions to Public Sector Problems.

ERIC Educational Resources Information Center

Kelley, Carolyn

This paper examines the ways in which private- and public-sector location affects organizational structure and functions, and the implications for school reform. It identifies the differences that are often overlooked when policymakers utilize market-based organizational reform models to address public school problems. Two fundamental questions…

Looking forward, not back: Supporting structuralism in the present.

PubMed

McKenzie, Kerry

2016-10-01

The view that the fundamental kind properties are intrinsic properties enjoys reflexive endorsement by most metaphysicians of science. But ontic structural realists deny that there are any fundamental intrinsic properties at all. Given that structuralists distrust intuition as a guide to truth, and given that we currently lack a fundamental physical theory that we could consult instead to order settle the issue, it might seem as if there is simply nowhere for this debate to go at present. However, I will argue that there exists an as-yet untapped resource for arguing for ontic structuralism - namely, the way that fundamentality is conceptualized in our most fundamental physical frameworks. By arguing that physical objects must be subject to the 'Goldilock's principle' if they are to count as fundamental at all, I argue that we can no longer view the majority of properties defining them as intrinsic. As such, ontic structural realism can be regarded as the most promising metaphysics for fundamental physics, and that this is so even though we do not yet claim to know precisely what that fundamental physics is. Copyright © 2016 Elsevier Ltd. All rights reserved.

The relationship between adolescents' physical activity, fundamental movement skills and weight status.

PubMed

O' Brien, Wesley; Belton, Sarahjane; Issartel, Johann

2016-01-01

The aim of this study was to determine if a potential relationship among physical activity (PA), fundamental movement skills and weight status exists amongst early adolescent youth. Participants were a sample of 85 students; 54 boys (mean age = 12.94 ± 0.33 years) and 31 girls (mean age = 12.75 ± 0.43 years). Data gathered during physical education class included PA (accelerometry), fundamental movement skills and anthropometric measurements. Standard multiple regression revealed that PA and total fundamental movement skill proficiency scores explained 16.5% (P < 0.001) of the variance in the prediction of body mass index. Chi-square tests for independence further indicated that compared with overweight or obese adolescents, a significantly higher proportion of adolescents classified as normal weight achieved mastery/near-mastery in fundamental movement skills. Results from the current investigation indicate that weight status is an important correlate of fundamental movement skill proficiency during adolescence. Aligned with most recent research, school- and community-based programmes that include developmentally structured learning experiences delivered by specialists can significantly improve fundamental movement skill proficiency in youth.

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

Cang, Zixuan; Mu, Lin; Wu, Kedi

Here, protein function and dynamics are closely related to its sequence and structure. However, prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein classification, which is typically done through measuring the similarity between proteins based on protein sequence or physical information, serves as a crucial step toward the understanding of protein function and dynamics.

Information Systems for Subject Specialists: A Multi-Modal Approach to Indexing and Classification.

ERIC Educational Resources Information Center

Swift, D.F.; And Others

A fundamental problem in the two broad approaches to indexing in the social sciences--providing structure using preferred terms, cross references, and groupings of sets of materials, or compiling a concordance of an author's terms based on occurrence, leaving users free to impose their own structure--is that different indexers and users focus on…

[Neurotic conflict systematics--the fundamentals of conflict diagnostics (OPD-2)].

PubMed

Schüssler, Gerhard; Burgmer, Markus; Mans, Elmar; Schneider, Gundrun; Dahlbender, Reiner; Heuft, Gereon

2006-01-01

Although a majority of psychodynamic-psychoanalytic researchers and practitioners address the issue of psychic structure, reevaluation of the nature of a neurotic conflict system and its relation to psychic structure is necessary. A comprehensive conflict system is presented in the context of operative psychodynamic diagnostics (OPD-2), based on findings confirmed thus far. The conflict levels range from conflict tension to neurotic conflicts to conflict schemata in structural disturbances.

Nanotechnology-Based Performance Improvements For Portland Cement Concrete - Phase I

DOT National Transportation Integrated Search

2012-08-16

A fundamental understanding of the nano-structure of Portland cement concrete (PCC) is the key to realizing significant breakthroughs regarding high performance and susta : (MBTC 2095/3004) using molecular dynamics (MD) provided new understanding of ...

Whose Model Student? Learner-Centered Discourse and the Post-Secondary Privatization Agenda

ERIC Educational Resources Information Center

Hoben, John

2016-01-01

Using discourse analysis, the author identifies contradictions in privatization discourse in order to highlight how state-based educational reform has used a normative language of student interests to fundamentally redefine the nature of the university's mission and its faculty based governance structures. The author proposes a counter-discourse…

Opportunities for using wood and biofibers for energy, chemical feedstocks, and structural applications

Treesearch

J. E. Winandy; R. S. Williams; A. W. Rudie; R. J. Ross

2008-01-01

This chapter describes 'integrated biomass technologies', a systematic approach for maximizing value, performance, resource sustainability, and profitability in the agriculture and forest products industries. The fundamental principles of integrated biomass technologies provide a global roadmap to a bio-based economy based on the systematic use of many less-...

Quantification of site-city interaction effects on the response of structure under double resonance condition

NASA Astrophysics Data System (ADS)

Kumar, Neeraj; Narayan, Jay Prakash

2018-01-01

This paper presents the site-city interaction (SCI) effects on the response of closely spaced structures under double resonance condition (F_{02{{D}}}^{{S}} = F_{02{{D}}}^{{B}}), where F_{02{{D}}}^{{S}} and F_{02{{D}}}^{{B}} are fundamental frequencies of 2-D structure and 2-D basin, respectively. This paper also presents the development of empirical relations to predict the F_{02{{D}}}^{{B}} of elliptical and trapezoidal basins for both the polarizations of the S wave. Simulated results revealed that F_{02{{D}}}^{{B}} of a 2-D basin very much depends on its geometry, shape ratio and polarization of the incident S wave. The obtained spectral amplification factor (SAF) at F_{02{{D}}}^{{S}} of a standalone structure in a 2-D basin is greater than that in the 1-D case under double resonance condition. A considerable reduction of the fundamental resonance frequency of structures due to the SCI effects is observed for both the polarizations of the S wave. The SAFs at F_{02{{D}}}^{{S}} of closely spaced structures due to SCI effects is larger in the case of SV than SH waves. A splitting of the fundamental-mode frequency bandwidth along with the drastic decrease of SAF due to the SCI effects is obtained. The findings of this paper raise the question concerning the validity of the predicted response of standalone structure based on soil-structure interaction for the design of structures in a 2-D small basin, in an urban environment.

Schema-based learning of adaptable and flexible prey- catching in anurans II. Learning after lesioning.

PubMed

Corbacho, Fernando; Nishikawa, Kiisa C; Weerasuriya, Ananda; Liaw, Jim-Shih; Arbib, Michael A

2005-12-01

The previous companion paper describes the initial (seed) schema architecture that gives rise to the observed prey-catching behavior. In this second paper in the series we describe the fundamental adaptive processes required during learning after lesioning. Following bilateral transections of the hypoglossal nerve, anurans lunge toward mealworms with no accompanying tongue or jaw movement. Nevertheless anurans with permanent hypoglossal transections eventually learn to catch their prey by first learning to open their mouth again and then lunging their body further and increasing their head angle. In this paper we present a new learning framework, called schema-based learning (SBL). SBL emphasizes the importance of the current existent structure (schemas), that defines a functioning system, for the incremental and autonomous construction of ever more complex structure to achieve ever more complex levels of functioning. We may rephrase this statement into the language of Schema Theory (Arbib 1992, for a comprehensive review) as the learning of new schemas based on the stock of current schemas. SBL emphasizes a fundamental principle of organization called coherence maximization, that deals with the maximization of congruence between the results of an interaction (external or internal) and the expectations generated for that interaction. A central hypothesis consists of the existence of a hierarchy of predictive internal models (predictive schemas) all over the control center-brain-of the agent. Hence, we will include predictive models in the perceptual, sensorimotor, and motor components of the autonomous agent architecture. We will then show that predictive models are fundamental for structural learning. In particular we will show how a system can learn a new structural component (augment the overall network topology) after being lesioned in order to recover (or even improve) its original functionality. Learning after lesioning is a special case of structural learning but clearly shows that solutions cannot be known/hardwired a priori since it cannot be known, in advance, which substructure is going to break down.

Depression Diagnoses and Fundamental Frequency-Based Acoustic Cues in Maternal Infant-Directed Speech

ERIC Educational Resources Information Center

Porritt, Laura L.; Zinser, Michael C.; Bachorowski, Jo-Anne; Kaplan, Peter S.

2014-01-01

F[subscript 0]-based acoustic measures were extracted from a brief, sentence-final target word spoken during structured play interactions between mothers and their 3- to 14-month-old infants and were analyzed based on demographic variables and DSM-IV Axis-I clinical diagnoses and their common modifiers. F[subscript 0] range (?F[subscript 0]) was…

Analytical Fuselage and Wing Weight Estimation of Transport Aircraft

DOT National Transportation Integrated Search

1996-05-01

A method of estimating the load-bearing fuselage weight and wing weight of transport aircraft based on fundamental structural principles has been developed. This method of weight estimation represents a compromise between the rapid assessment of comp...

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice.

PubMed

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects.

Comorbidity and ventricular and vascular structure and function in heart failure with preserved ejection fraction: a community-based study.

PubMed

Mohammed, Selma F; Borlaug, Barry A; Roger, Véronique L; Mirzoyev, Sultan A; Rodeheffer, Richard J; Chirinos, Julio A; Redfield, Margaret M

2012-11-01

Patients with heart failure and preserved ejection fraction (HFpEF) display increased adiposity and multiple comorbidities, factors that in themselves may influence cardiovascular structure and function. This has sparked debate as to whether HFpEF represents a distinct disease or an amalgamation of comorbidities. We hypothesized that fundamental cardiovascular structural and functional alterations are characteristic of HFpEF, even after accounting for body size and comorbidities. Comorbidity-adjusted cardiovascular structural and functional parameters scaled to independently generated and age-appropriate allometric powers were compared in community-based cohorts of HFpEF patients (n=386) and age/sex-matched healthy n=193 and hypertensive, n=386 controls. Within HFpEF patients, body size and concomitant comorbidity-adjusted cardiovascular structural and functional parameters and survival were compared in those with and without individual comorbidities. Among HFpEF patients, comorbidities (obesity, anemia, diabetes mellitus, and renal dysfunction) were each associated with unique clinical, structural, functional, and prognostic profiles. However, after accounting for age, sex, body size, and comorbidities, greater concentric hypertrophy, atrial enlargement and systolic, diastolic, and vascular dysfunction were consistently observed in HFpEF compared with age/sex-matched normotensive and hypertensive. Comorbidities influence ventricular-vascular properties and outcomes in HFpEF, yet fundamental disease-specific changes in cardiovascular structure and function underlie this disorder. These data support the search for mechanistically targeted therapies in this disease.

An automatic damage detection algorithm based on the Short Time Impulse Response Function

NASA Astrophysics Data System (ADS)

Auletta, Gianluca; Carlo Ponzo, Felice; Ditommaso, Rocco; Iacovino, Chiara

2016-04-01

Structural Health Monitoring together with all the dynamic identification techniques and damage detection techniques are increasing in popularity in both scientific and civil community in last years. The basic idea arises from the observation that spectral properties, described in terms of the so-called modal parameters (eigenfrequencies, mode shapes, and modal damping), are functions of the physical properties of the structure (mass, energy dissipation mechanisms and stiffness). Damage detection techniques traditionally consist in visual inspection and/or non-destructive testing. A different approach consists in vibration based methods detecting changes of feature related to damage. Structural damage exhibits its main effects in terms of stiffness and damping variation. Damage detection approach based on dynamic monitoring of structural properties over time has received a considerable attention in recent scientific literature. We focused the attention on the structural damage localization and detection after an earthquake, from the evaluation of the mode curvature difference. The methodology is based on the acquisition of the structural dynamic response through a three-directional accelerometer installed on the top floor of the structure. It is able to assess the presence of any damage on the structure providing also information about the related position and severity of the damage. The procedure is based on a Band-Variable Filter, (Ditommaso et al., 2012), used to extract the dynamic characteristics of systems that evolve over time by acting simultaneously in both time and frequency domain. In this paper using a combined approach based on the Fourier Transform and on the seismic interferometric analysis, an useful tool for the automatic fundamental frequency evaluation of nonlinear structures has been proposed. Moreover, using this kind of approach it is possible to improve some of the existing methods for the automatic damage detection providing stable results also during the strong motion phase. This approach helps to overcome the limitation derived from the use of techniques based on simple Fourier Transform that provide good results when the response of the monitored system is stationary, but fails when the system exhibits a non-stationary behaviour. The main advantage derived from the use of the proposed approach for Structural Health Monitoring is based on the simplicity of the interpretation of the nonlinear variations of the fundamental frequency. The proposed methodology has been tested on numerical models of reinforced concrete structures designed for only gravity loads without and with the presence of infill panels. In order to verify the effectiveness of the proposed approach for the automatic evaluation of the fundamental frequency over time, the results of an experimental campaign of shaking table tests conducted at the seismic laboratory of University of Basilicata (SISLAB) have been used. Acknowledgements This study was partially funded by the Italian Civil Protection Department within the project DPC-RELUIS 2015 - RS4 ''Seismic observatory of structures and health monitoring''. References Ditommaso, R., Mucciarelli, M., Ponzo, F.C. (2012) Analysis of non-stationary structural systems by using a band-variable filter. Bulletin of Earthquake Engineering. DOI: 10.1007/s10518-012-9338-y.

A topological approach for protein classification

DOE PAGES

Cang, Zixuan; Mu, Lin; Wu, Kedi; ...

2015-11-04

Here, protein function and dynamics are closely related to its sequence and structure. However, prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein classification, which is typically done through measuring the similarity between proteins based on protein sequence or physical information, serves as a crucial step toward the understanding of protein function and dynamics.

Two ways to solve, using Lie group analysis, the fundamental valuation equation in the double-square-root model of the term structure

NASA Astrophysics Data System (ADS)

Sinkala, W.

2011-01-01

Two approaches based on Lie group analysis are employed to obtain the closed-form solution of a partial differential equation derived by Francis A. Longstaff [J Financial Econom 1989;23:195-224] for the price of a discount bond in the double-square-root model of the term structure.

Genetic-evolution-based optimization methods for engineering design

NASA Technical Reports Server (NTRS)

Rao, S. S.; Pan, T. S.; Dhingra, A. K.; Venkayya, V. B.; Kumar, V.

1990-01-01

This paper presents the applicability of a biological model, based on genetic evolution, for engineering design optimization. Algorithms embodying the ideas of reproduction, crossover, and mutation are developed and applied to solve different types of structural optimization problems. Both continuous and discrete variable optimization problems are solved. A two-bay truss for maximum fundamental frequency is considered to demonstrate the continuous variable case. The selection of locations of actuators in an actively controlled structure, for minimum energy dissipation, is considered to illustrate the discrete variable case.

Optimisation of GaN LEDs and the reduction of efficiency droop using active machine learning

DOE PAGES

Rouet-Leduc, Bertrand; Barros, Kipton Marcos; Lookman, Turab; ...

2016-04-26

A fundamental challenge in the design of LEDs is to maximise electro-luminescence efficiency at high current densities. We simulate GaN-based LED structures that delay the onset of efficiency droop by spreading carrier concentrations evenly across the active region. Statistical analysis and machine learning effectively guide the selection of the next LED structure to be examined based upon its expected efficiency as well as model uncertainty. This active learning strategy rapidly constructs a model that predicts Poisson-Schrödinger simulations of devices, and that simultaneously produces structures with higher simulated efficiencies.

7 CFR 4279.155 - Loan priorities.

Code of Federal Regulations, 2011 CFR

2011-01-01

... natural resource value-added product (2 points). (iii) Occupations. The priority score for occupations... natural disaster or experiencing fundamental structural changes in its economic base (5 points). (iv... for the following: (A) Business that offers high value, specialized products and services that command...

7 CFR 4279.155 - Loan priorities.

Code of Federal Regulations, 2013 CFR

2013-01-01

... natural resource value-added product (2 points). (iii) Occupations. The priority score for occupations... natural disaster or experiencing fundamental structural changes in its economic base (5 points). (iv... for the following: (A) Business that offers high value, specialized products and services that command...

7 CFR 4279.155 - Loan priorities.

Code of Federal Regulations, 2012 CFR

2012-01-01

... natural resource value-added product (2 points). (iii) Occupations. The priority score for occupations... natural disaster or experiencing fundamental structural changes in its economic base (5 points). (iv... for the following: (A) Business that offers high value, specialized products and services that command...

7 CFR 4279.155 - Loan priorities.

Code of Federal Regulations, 2014 CFR

2014-01-01

... natural resource value-added product (2 points). (iii) Occupations. The priority score for occupations... natural disaster or experiencing fundamental structural changes in its economic base (5 points). (iv... for the following: (A) Business that offers high value, specialized products and services that command...

End Effects and Load Diffusion in Composite Structures

NASA Technical Reports Server (NTRS)

Horgan, Cornelius O.; Ambur, D. (Technical Monitor); Nemeth, M. P. (Technical Monitor)

2002-01-01

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Specific problems recently considered were focussed on end effects in sandwich structures and for functionally graded materials. Both linear and nonlinear (geometric and material) problems have been addressed. Our goal is the development of readily applicable design formulas for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The analysis is also amenable to parameter study with a large parameter space and should be useful in structural tailoring studies.

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice

PubMed Central

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects. PMID:26900841

Theoretical and experimental studies of hyperreflective polymer-network cholesteric liquid crystal structures with helicity inversion

NASA Astrophysics Data System (ADS)

Tasolamprou, A. C.; Mitov, M.; Zografopoulos, D. C.; Kriezis, E. E.

2009-03-01

Single-layer cholesteric liquid crystals exhibit a reflection coefficient which is at most 50% for unpolarized incident light. We give theoretical and experimental evidence of single-layer polymer-stabilized cholesteric liquid-crystalline structures that demonstrate hyper-reflective properties. Such original features are derived by the concurrent and randomly interlaced presence of both helicities. The fundamental properties of such structures are revealed by detailed numerical simulations based on a stochastic approach.

PGL germ granule assembly protein is a base-specific, single-stranded RNase

PubMed Central

Aoki, Scott T.; Kershner, Aaron M.; Bingman, Craig A.; Wickens, Marvin; Kimble, Judith

2016-01-01

Cellular RNA-protein (RNP) granules are ubiquitous and have fundamental roles in biology and RNA metabolism, but the molecular basis of their structure, assembly, and function is poorly understood. Using nematode “P-granules” as a paradigm, we focus on the PGL granule scaffold protein to gain molecular insights into RNP granule structure and assembly. We first identify a PGL dimerization domain (DD) and determine its crystal structure. PGL-1 DD has a novel 13 α-helix fold that creates a positively charged channel as a homodimer. We investigate its capacity to bind RNA and discover unexpectedly that PGL-1 DD is a guanosine-specific, single-stranded endonuclease. Discovery of the PGL homodimer, together with previous results, suggests a model in which the PGL DD dimer forms a fundamental building block for P-granule assembly. Discovery of the PGL RNase activity expands the role of RNP granule assembly proteins to include enzymatic activity in addition to their job as structural scaffolds. PMID:26787882

Determining the structure-mechanics relationships of dense microtubule networks with confocal microscopy and magnetic tweezers-based microrheology.

PubMed

Yang, Yali; Valentine, Megan T

2013-01-01

The microtubule (MT) cytoskeleton is essential in maintaining the shape, strength, and organization of cells. Its spatiotemporal organization is fundamental for numerous dynamic biological processes, and mechanical stress within the MT cytoskeleton provides an important signaling mechanism in mitosis and neural development. This raises important questions about the relationships between structure and mechanics in complex MT structures. In vitro, reconstituted cytoskeletal networks provide a minimal model of cell mechanics while also providing a testing ground for the fundamental polymer physics of stiff polymer gels. Here, we describe our development and implementation of a broad tool kit to study structure-mechanics relationships in reconstituted MT networks, including protocols for the assembly of entangled and cross-linked MT networks, fluorescence imaging, microstructure characterization, construction and calibration of magnetic tweezers devices, and mechanical data collection and analysis. In particular, we present the design and assembly of three neodymium iron boron (NdFeB)-based magnetic tweezers devices optimized for use with MT networks: (1) high-force magnetic tweezers devices that enable the application of nano-Newton forces and possible meso- to macroscale materials characterization; (2) ring-shaped NdFeB-based magnetic tweezers devices that enable oscillatory microrheology measurements; and (3) portable magnetic tweezers devices that enable direct visualization of microscale deformation in soft materials under applied force. Copyright © 2013 Elsevier Inc. All rights reserved.

Designing an Earthquake-Resistant Building

ERIC Educational Resources Information Center

English, Lyn D.; King, Donna T.

2016-01-01

How do cross-bracing, geometry, and base isolation help buildings withstand earthquakes? These important structural design features involve fundamental geometry that elementary school students can readily model and understand. The problem activity, Designing an Earthquake-Resistant Building, was undertaken by several classes of sixth- grade…

Music and Computing.

ERIC Educational Resources Information Center

Boody, Charles G., Ed.

1986-01-01

Six articles on music and computing address development of computer-based music technology, computer assisted instruction (CAI) in ear training and music fundamentals, a machine-independent data structure for musical pitch relationship representation, touch tablet input device in a melodic dictation CAI game, and systematic evaluation strategies…

On the structural context and identification of enzyme catalytic residues.

PubMed

Chien, Yu-Tung; Huang, Shao-Wei

2013-01-01

Enzymes play important roles in most of the biological processes. Although only a small fraction of residues are directly involved in catalytic reactions, these catalytic residues are the most crucial parts in enzymes. The study of the fundamental and unique features of catalytic residues benefits the understanding of enzyme functions and catalytic mechanisms. In this work, we analyze the structural context of catalytic residues based on theoretical and experimental structure flexibility. The results show that catalytic residues have distinct structural features and context. Their neighboring residues, whether sequence or structure neighbors within specific range, are usually structurally more rigid than those of noncatalytic residues. The structural context feature is combined with support vector machine to identify catalytic residues from enzyme structure. The prediction results are better or comparable to those of recent structure-based prediction methods.

Interface structure between tetraglyme and graphite

NASA Astrophysics Data System (ADS)

Minato, Taketoshi; Araki, Yuki; Umeda, Kenichi; Yamanaka, Toshiro; Okazaki, Ken-ichi; Onishi, Hiroshi; Abe, Takeshi; Ogumi, Zempachi

2017-09-01

Clarification of the details of the interface structure between liquids and solids is crucial for understanding the fundamental processes of physical functions. Herein, we investigate the structure of the interface between tetraglyme and graphite and propose a model for the interface structure based on the observation of frequency-modulation atomic force microscopy in liquids. The ordering and distorted adsorption of tetraglyme on graphite were observed. It is found that tetraglyme stably adsorbs on graphite. Density functional theory calculations supported the adsorption structure. In the liquid phase, there is a layered structure of the molecular distribution with an average distance of 0.60 nm between layers.

Plasmonics of magnetic and topological graphene-based nanostructures

NASA Astrophysics Data System (ADS)

Kuzmin, Dmitry A.; Bychkov, Igor V.; Shavrov, Vladimir G.; Temnov, Vasily V.

2018-02-01

Graphene is a unique material in the study of the fundamental limits of plasmonics. Apart from the ultimate single-layer thickness, its carrier concentration can be tuned by chemical doping or applying an electric field. In this manner, the electrodynamic properties of graphene can be varied from highly conductive to dielectric. Graphene supports strongly confined, propagating surface plasmon polaritons (SPPs) in a broad spectral range from terahertz to mid-infrared frequencies. It also possesses a strong magneto-optical response and thus provides complimentary architectures to conventional magneto-plasmonics based on magneto-optically active metals or dielectrics. Despite a large number of review articles devoted to plasmonic properties and applications of graphene, little is known about graphene magneto-plasmonics and topological effects in graphene-based nanostructures, which represent the main subject of this review. We discuss several strategies to enhance plasmonic effects in topologically distinct closed surface landscapes, i.e. graphene nanotubes, cylindrical nanocavities and toroidal nanostructures. A novel phenomenon of the strongly asymmetric SPP propagation on chiral meta-structures and the fundamental relations between structural and plasmonic topological indices are reviewed.

Invalid-point removal based on epipolar constraint in the structured-light method

NASA Astrophysics Data System (ADS)

Qi, Zhaoshuai; Wang, Zhao; Huang, Junhui; Xing, Chao; Gao, Jianmin

2018-06-01

In structured-light measurement, there unavoidably exist many invalid points caused by shadows, image noise and ambient light. According to the property of the epipolar constraint, because the retrieved phase of the invalid point is inaccurate, the corresponding projector image coordinate (PIC) will not satisfy the epipolar constraint. Based on this fact, a new invalid-point removal method based on the epipolar constraint is proposed in this paper. First, the fundamental matrix of the measurement system is calculated, which will be used for calculating the epipolar line. Then, according to the retrieved phase map of the captured fringes, the PICs of each pixel are retrieved. Subsequently, the epipolar line in the projector image plane of each pixel is obtained using the fundamental matrix. The distance between the corresponding PIC and the epipolar line of a pixel is defined as the invalidation criterion, which quantifies the satisfaction degree of the epipolar constraint. Finally, all pixels with a distance larger than a certain threshold are removed as invalid points. Experiments verified that the method is easy to implement and demonstrates better performance than state-of-the-art measurement systems.

Approximate method for calculating free vibrations of a large-wind-turbine tower structure

NASA Technical Reports Server (NTRS)

Das, S. C.; Linscott, B. S.

1977-01-01

A set of ordinary differential equations were derived for a simplified structural dynamic lumped-mass model of a typical large-wind-turbine tower structure. Dunkerley's equation was used to arrive at a solution for the fundamental natural frequencies of the tower in bending and torsion. The ERDA-NASA 100-kW wind turbine tower structure was modeled, and the fundamental frequencies were determined by the simplified method described. The approximate fundamental natural frequencies for the tower agree within 18 percent with test data and predictions analyzed.

Comparison of fundamental natural period of masonry and reinforced concrete buildings retrieved from experimental campaigns performed in Italy, Greece and Spain

NASA Astrophysics Data System (ADS)

Nigro, Antonella; Ponzo, Felice C.; Ditommaso, Rocco; Auletta, Gianluca; Iacovino, Chiara; Nigro, Domenico S.; Soupios, Pantelis; García-Fernández, Mariano; Jimenez, Maria-Jose

2017-04-01

Aim of this study is the experimental estimation of the dynamic characteristics of existing buildings and the comparison of the related fundamental natural period of the buildings (masonry and reinforced concrete) located in Basilicata (Italy), in Madrid (Spain) and in Crete (Greece). Several experimental campaigns, on different kind of structures all over the world, have been performed in the last years with the aim of proposing simplified relationships to evaluate the fundamental period of buildings. Most of formulas retrieved from experimental analyses provide vibration periods smaller than those suggested by the Italian Seismic Code (NTC2008) and the European Seismic Code (EC8). It is known that the fundamental period of a structure play a key role in the correct estimation of the spectral acceleration for seismic static analyses and to detect possible resonance phenomena with the foundation soil. Usually, simplified approaches dictate the use of safety factors greater than those related to in depth dynamic linear and nonlinear analyses with the aim to cover any unexpected uncertainties. The fundamental period calculated with the simplified formula given by both NTC 2008 and EC8 is higher than the fundamental period measured on the investigated structures in Italy, Spain and Greece. The consequence is that the spectral acceleration adopted in the seismic static analysis may be significantly different than real spectral acceleration. This approach could produces a decreasing in safety factors obtained using linear seismic static analyses. Based on numerical and experimental results, in order to confirm the results proposed in this work, authors suggest to increase the number of numerical and experimental tests considering also the effects of non-structural components and soil during small, medium and strong motion earthquakes. Acknowledgements This study was partially funded by the Italian Department of Civil Protection within the project DPC-RELUIS 2016 - RS4 ''Seismic observatory of structures and health monitoring'' and by the "Centre of Integrated Geomorphology for the Mediterranean Area - CGIAM" within the Framework Agreement with the University of Basilicata "Study, Research and Experimentation in the Field of Analysis and Monitoring of Seismic Vulnerability of Strategic and Relevant Buildings for the purposes of Civil Protection and Development of Innovative Strategies of Seismic Reinforcement".

Short Time Impulse Response Function (STIRF) for automatic evaluation of the variation of the dynamic parameters of reinforced concrete framed structures during strong earthquakes.

NASA Astrophysics Data System (ADS)

Carlo Ponzo, Felice; Ditommaso, Rocco

2015-04-01

This study presents an innovative strategy for automatic evaluation of the variable fundamental frequency and related damping factor of nonlinear structures during strong motion phases. Most of methods for damage detection are based on the assessment of the variations of the dynamic parameters characterizing the monitored structure. A crucial aspect of these methods is the automatic and accurate estimation of both structural eigen-frequencies and related damping factors also during the nonlinear behaviour. A new method, named STIRF (Short-Time Impulse Response Function - STIRF), based on the nonlinear interferometric analysis combined with the Fourier Transform (FT) here is proposed in order to allow scientists and engineers to characterize frequencies and damping variations of a monitored structure. The STIRF approach helps to overcome some limitation derived from the use of techniques based on simple Fourier Transform. These latter techniques provide good results when the response of the monitored system is stationary, but fails when the system exhibits a non-stationary, time-varying behaviour: even non-stationary input, soil-foundation and/or adjacent structures interaction phenomena can show the inadequacy of classic techniques to analysing the nonlinear and/or non-stationary behaviour of structures. In fact, using this kind of approach it is possible to improve some of the existing methods for the automatic damage detection providing stable results also during the strong motion phase. Results are consistent with those expected if compared with other techniques. The main advantage derived from the use of the proposed approach (STIRF) for Structural Health Monitoring is based on the simplicity of the interpretation of the nonlinear variations of the fundamental frequency and the related equivalent viscous damping factor. The proposed methodology has been tested on both numerical and experimental models also using data retrieved from shaking table tests. Based on the results provided in this study, the methodology seems to be able to evaluate fast variations (over time) of dynamic parameters of a generic reinforced concrete framed structure. Further analyses are necessary to better calibrate the length of the moving time-window (in order to minimize the spurious frequency within each Interferometric Response Function evaluated on both weak and strong motion phases) and to verify the possibility to use the STIRF to analyse the nonlinear behaviour of general systems. Acknowledgements This study was partially funded by the Italian Civil Protection Department within the project DPC-RELUIS 2014 - RS4 ''Seismic observatory of structures and health monitoring''. References R. Ditommaso, F.C. Ponzo (2015). Automatic evaluation of the fundamental frequency variations and related damping factor of reinforced concrete framed structures using the Short Time Impulse Response Function (STIRF). Engineering Structures, 82 (2015), 104-112. http://dx.doi.org/10.1016/j.engstruct.2014.10.023.

The peculiarities of structurizing enclosing rock massif while developing a coal seam

NASA Astrophysics Data System (ADS)

Kozyreva, E. N.; Shinkevich, M. V.

2017-09-01

Different concepts of the development of geo-mechanical processes during longwall mining of a seam which are fundamentally different from the conventional ones are introduced in the article. Fundamental principles of the model for structurizing enclosing rock mass while longwall mining along the strike are described. The model was developed on the bases of non-linear geomechanical laws. According to the model, rock mass in the area of mining operation is organized as rock geomechanical layers with shifting arches. And the formation period of shifting arches in disintegrated rock mass is divisible by the length of the stope. Undulate characteristic of a massif as a peculiarity of man-made structurization of a massif is defined. It is shown that structuring the broken massif causes the formation of block-structured system and it can be detected while monitoring the ground pressure in powered support props. The results of the research allow decreasing the negative influence of a ground pressure and can be applied to specify parameters for controlling the roof, defining geometrical dimensions of a mining section and positioning of holing chute (face entry).

Load Diffusion in Composite and Smart Structures

NASA Technical Reports Server (NTRS)

Horgan, Cornelius O.; Ambur, D. (Technical Monitor); Nemeth, M. P. (Technical Monitor)

2003-01-01

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for the multi-functional large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Some specific problems recently considered were those of end effects in smart materials and structures, study of the stress response of pressurized linear piezoelectric cylinders for both static and steady rotating configurations, an analysis of the effect of pre-stressing and pre-polarization on the decay of end effects in piezoelectric solids and investigation of constitutive models for hardening rubber-like materials. Our goal in the study of load diffusion is the development of readily applicable results for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses.

Data processing for soft X-ray diagnostics based on GEM detector measurements for fusion plasma imaging

NASA Astrophysics Data System (ADS)

Czarski, T.; Chernyshova, M.; Pozniak, K. T.; Kasprowicz, G.; Byszuk, A.; Juszczyk, B.; Wojenski, A.; Zabolotny, W.; Zienkiewicz, P.

2015-12-01

The measurement system based on GEM - Gas Electron Multiplier detector is developed for X-ray diagnostics of magnetic confinement fusion plasmas. The Triple Gas Electron Multiplier (T-GEM) is presented as soft X-ray (SXR) energy and position sensitive detector. The paper is focused on the measurement subject and describes the fundamental data processing to obtain reliable characteristics (histograms) useful for physicists. So, it is the software part of the project between the electronic hardware and physics applications. The project is original and it was developed by the paper authors. Multi-channel measurement system and essential data processing for X-ray energy and position recognition are considered. Several modes of data acquisition determined by hardware and software processing are introduced. Typical measuring issues are deliberated for the enhancement of data quality. The primary version based on 1-D GEM detector was applied for the high-resolution X-ray crystal spectrometer KX1 in the JET tokamak. The current version considers 2-D detector structures initially for the investigation purpose. Two detector structures with single-pixel sensors and multi-pixel (directional) sensors are considered for two-dimensional X-ray imaging. Fundamental output characteristics are presented for one and two dimensional detector structure. Representative results for reference source and tokamak plasma are demonstrated.

A Novel Machine Learning Classifier Based on a Qualia Modeling Agent (QMA)

DTIC Science & Technology

Information Theory (IIT) of Consciousness , which proposes that the fundamental structural elements of consciousness are qualia. By modeling the...This research develops a computational agent, which overcomes this problem. The Qualia Modeling Agent (QMA) is modeled after two cognitive theories

7 CFR 4279.155 - Loan priorities.

Code of Federal Regulations, 2010 CFR

2010-01-01

... natural disaster or experiencing fundamental structural changes in its economic base (5 points). (iv... the maximum allowable for a loan of its size (5 points). (5) High impact business investment priorities. The priority score for high impact business investment will be the total score for the following...

The multi-copy simultaneous search methodology: a fundamental tool for structure-based drug design.

PubMed

Schubert, Christian R; Stultz, Collin M

2009-08-01

Fragment-based ligand design approaches, such as the multi-copy simultaneous search (MCSS) methodology, have proven to be useful tools in the search for novel therapeutic compounds that bind pre-specified targets of known structure. MCSS offers a variety of advantages over more traditional high-throughput screening methods, and has been applied successfully to challenging targets. The methodology is quite general and can be used to construct functionality maps for proteins, DNA, and RNA. In this review, we describe the main aspects of the MCSS method and outline the general use of the methodology as a fundamental tool to guide the design of de novo lead compounds. We focus our discussion on the evaluation of MCSS results and the incorporation of protein flexibility into the methodology. In addition, we demonstrate on several specific examples how the information arising from the MCSS functionality maps has been successfully used to predict ligand binding to protein targets and RNA.

Structural mechanics of 3-D braided preforms for composites. IV - The 4-step tubular braiding

NASA Technical Reports Server (NTRS)

Hammad, M.; El-Messery, M.; El-Shiekh, A.

1991-01-01

This paper presents the fundamentals of the 4-step 3D tubular braiding process and the structure of the preforms produced. Based on an idealized structural model, geometric relations between the structural parameters of the preform are analytically established. The effects of machine arrangement and operating conditions are discussed. Yarn retraction, yarn surface angle, outside diameter, and yarn volume fraction of the preform in terms of the pitch length, the inner diameter, and the machine arrangement are theoretically predicted and experimentally verified.

Radiative sky cooling: fundamental physics, materials, structures, and applications

NASA Astrophysics Data System (ADS)

Sun, Xingshu; Sun, Yubo; Zhou, Zhiguang; Alam, Muhammad Ashraful; Bermel, Peter

2017-07-01

Radiative sky cooling reduces the temperature of a system by promoting heat exchange with the sky; its key advantage is that no input energy is required. We will review the origins of radiative sky cooling from ancient times to the modern day, and illustrate how the fundamental physics of radiative cooling calls for a combination of properties that may not occur in bulk materials. A detailed comparison with recent modeling and experiments on nanophotonic structures will then illustrate the advantages of this recently emerging approach. Potential applications of these radiative cooling materials to a variety of temperature-sensitive optoelectronic devices, such as photovoltaics, thermophotovoltaics, rectennas, and infrared detectors, will then be discussed. This review will conclude by forecasting the prospects for the field as a whole in both terrestrial and space-based systems.

Fundamental Research on Infrared Detection

DTIC Science & Technology

2006-10-15

2. Antimony-based type-II superlattice (T2-SL) photodetectors – We explored the temperature dependent and noise current characteristics of interband...their CZT substrates. Task 2. Antimony-based type-II superlattice (T2-SL) photodetectors – We explored the temperature dependent and noise ...structures, leading to potentially high device performance in photovoltaic mode with low noise and normal incidence detection. The ICDs have a

225-255-GHz InP DHBT Frequency Tripler MMIC Using Complementary Split-Ring Resonator

NASA Astrophysics Data System (ADS)

Li, Xiao; Zhang, Yong; Li, Oupeng; Sun, Yan; Lu, Haiyan; Cheng, Wei; Xu, Ruimin

2017-02-01

In this paper, a novel design of frequency tripler monolithic microwave integrated circuit (MMIC) using complementary split-ring resonator (CSRR) is proposed based on 0.5-μm InP DHBT process. The CSRR-loaded microstrip structure is integrated in the tripler as a part of impedance matching network to suppress the fundamental harmonic, and another frequency tripler based on conventional band-pass filter is presented for comparison. The frequency tripler based on CSRR-loaded microstrip generates an output power between -8 and -4 dBm from 228 to 255 GHz when the input power is 6 dBm. The suppression of fundamental harmonic is better than 20 dBc at 77-82 GHz input frequency within only 0.15 × 0.15 mm2 chip area of the CSRR structure on the ground layer. Compared with the frequency tripler based on band-pass filter, the tripler using CSRR-loaded microstrip obtains a similar suppression level of unwanted harmonics and higher conversion gain within a much smaller chip area. To our best knowledge, it is the first time that CSRR is used for harmonic suppression of frequency multiplier at such high frequency band.

Distributed computer taxonomy based on O/S structure

NASA Technical Reports Server (NTRS)

Foudriat, Edwin C.

1985-01-01

The taxonomy considers the resource structure at the operating system level. It compares a communication based taxonomy with the new taxonomy to illustrate how the latter does a better job when related to the client's view of the distributed computer. The results illustrate the fundamental features and what is required to construct fully distributed processing systems. The problem of using network computers on the space station is addressed. A detailed discussion of the taxonomy is not given here. Information is given in the form of charts and diagrams that were used to illustrate a talk.

Fragrance compounds and amphiphilic association structures.

PubMed

Friberg, S E

1998-05-01

Fragrance formulations have traditionally been based on alcohol as the solvent, but the recent legal restrictions on volatile organic solvents have prompted the industry to change to aqueous solubilized systems. The article reviews the fundamental factors in the application of such systems evaluating the influence by different amphiphilic association structures on the vapor pressure of fragrance compounds. This information is subsequently used to estimate the variation of fragrance compound vapor pressures during evaporation. The results reveal that the vapor pressure versus time variation is improved compared to solvent-based formulations.

RESISTANCE OF EARTH BANK AGAINST TSUNAMI AND STRUCTURE OF DUG POOL FORMED BY TSUNAMI IN THE 2011 OFF THE PACIFIC COAST OF TOHOKU EARTHQUAKE

NASA Astrophysics Data System (ADS)

Tokida, Ken-Ichi; Tanimoto, Ryusuke

In the 2011 Off the Pacific Coast of Tohoku Earthquake, very huge damages of civil engineering structures etc. occurred by tsunami strikes along the rias coast and plane coast of the Pacific Ocean. For the urgent repair and the future reconstruction of these structures, the fundamental damage characteristics of these structures should be clarified by the field surveys from which effective lessons can be expected. In this paper, several important lessons on the resistance characteristics of 13 earth structures such as river dykes and sand banks which are obtained from the field surveys conducted by the authors are indicated. Because many dug pools were formed by the tsunami overflow at the backside of earth embankments and sea walls in this earthquake, the fundamental characteristics of the 10 dug pools are investigated thorough the field survey to estimate the effects of the dug pools quantitatively in the future. Furthermore through the field survey conducted at the representative site named Idoura, the scale and waterbed conditions of the natural canals and the strength characteristics of the river dykes and the base ground neighboring the natural canals are measured in detail and discussed. These fundamental lessons and data on the earth banks and dug pools will be able to be used to simulate the effects of the dug pools and to discuss the artificial canals as one of the hard countermeasures to reduce the tsunami height and/or force.

Deriving high-resolution protein backbone structure propensities from all crystal data using the information maximization device.

PubMed

Solis, Armando D

2014-01-01

The most informative probability distribution functions (PDFs) describing the Ramachandran phi-psi dihedral angle pair, a fundamental descriptor of backbone conformation of protein molecules, are derived from high-resolution X-ray crystal structures using an information-theoretic approach. The Information Maximization Device (IMD) is established, based on fundamental information-theoretic concepts, and then applied specifically to derive highly resolved phi-psi maps for all 20 single amino acid and all 8000 triplet sequences at an optimal resolution determined by the volume of current data. The paper shows that utilizing the latent information contained in all viable high-resolution crystal structures found in the Protein Data Bank (PDB), totaling more than 77,000 chains, permits the derivation of a large number of optimized sequence-dependent PDFs. This work demonstrates the effectiveness of the IMD and the superiority of the resulting PDFs by extensive fold recognition experiments and rigorous comparisons with previously published triplet PDFs. Because it automatically optimizes PDFs, IMD results in improved performance of knowledge-based potentials, which rely on such PDFs. Furthermore, it provides an easy computational recipe for empirically deriving other kinds of sequence-dependent structural PDFs with greater detail and precision. The high-resolution phi-psi maps derived in this work are available for download.

Polyamide membranes with nanoscale Turing structures for water purification

NASA Astrophysics Data System (ADS)

Tan, Zhe; Chen, Shengfu; Peng, Xinsheng; Zhang, Lin; Gao, Congjie

2018-05-01

The emergence of Turing structures is of fundamental importance, and designing these structures and developing their applications have practical effects in chemistry and biology. We use a facile route based on interfacial polymerization to generate Turing-type polyamide membranes for water purification. Manipulation of shapes by control of reaction conditions enabled the creation of membranes with bubble or tube structures. These membranes exhibit excellent water-salt separation performance that surpasses the upper-bound line of traditional desalination membranes. Furthermore, we show the existence of high water permeability sites in the Turing structures, where water transport through the membranes is enhanced.

The Scope of Usage-Based Theory

PubMed Central

Ibbotson, Paul

2013-01-01

Usage-based approaches typically draw on a relatively small set of cognitive processes, such as categorization, analogy, and chunking to explain language structure and function. The goal of this paper is to first review the extent to which the “cognitive commitment” of usage-based theory has had success in explaining empirical findings across domains, including language acquisition, processing, and typology. We then look at the overall strengths and weaknesses of usage-based theory and highlight where there are significant debates. Finally, we draw special attention to a set of culturally generated structural patterns that seem to lie beyond the explanation of core usage-based cognitive processes. In this context we draw a distinction between cognition permitting language structure vs. cognition entailing language structure. As well as addressing the need for greater clarity on the mechanisms of generalizations and the fundamental units of grammar, we suggest that integrating culturally generated structures within existing cognitive models of use will generate tighter predictions about how language works. PMID:23658552

Design and simulation of a MEM pressure microgripper based on electrothermal microactuators

NASA Astrophysics Data System (ADS)

Tecpoyotl-T., Margarita; Vargas Ch., Pedro; Koshevaya, Svetlana; Cabello-R., Ramón; Ocampo-D., Alejandra; Vera-D., J. Gerardo

2016-09-01

Design and simulation of a novel pressure microgripper based on Microelectromechanical, MEM technology, and composed by several electrothermal microactuators were carried out in order to increment the displacement and the cutoff force. The implementation of an element of press or gripping in the arrow of chevron actuator was implemented to supply stability in the manipulation of micro-objects. Each device of the microgripper and its fundamental equations will be described. The fundamental parameters to understand the operation and behaviour of the device are analyzed through sweeps of temperature (from 30 °C up to 100 °C) and voltage (from 0.25 V up to 5 V), showing the feasibility to operate the microgripper with electrical or thermal feeding. The design and simulation were development with Finite Element Method (FEM) in Ansys-Workbench 16.0. In this work, the fundamental parameters were calculated in Ansys-Workbench. It is shown, that structural modifications have great impact in the displacement and the cut-off force of the microgripper.

Parameter space for the collective laser coupling in the laser fusion driver based on the concept of fiber amplification network.

PubMed

Huang, Zhihua; Lin, Honghuan; Xu, Dangpeng; Li, Mingzhong; Wang, Jianjun; Deng, Ying; Zhang, Rui; Zhang, Yongliang; Tian, Xiaocheng; Wei, Xiaofeng

2013-07-15

Collective laser coupling of the fiber array in the inertial confinement fusion (ICF) laser driver based on the concept of fiber amplification network (FAN) is researched. The feasible parameter space is given for laser coupling of the fundamental, second and third harmonic waves by neglecting the influence of the frequency conversion on the beam quality under the assumption of beam quality factor conservation. Third harmonic laser coupling is preferred due to its lower output energy requirement from a single fiber amplifier. For coplanar fiber array, the energy requirement is around 0.4 J with an effective mode field diameter of around 500 μm while maintaining the fundamental mode operation which is more than one order of magnitude higher than what can be achieved with state-of-the-art technology. Novel waveguide structure needs to be developed to enlarge the fundamental mode size while mitigating the catastrophic self-focusing effect.

Coexistence of positive and negative refractive index sensitivity in the liquid-core photonic crystal fiber based plasmonic sensor.

PubMed

Shuai, Binbin; Xia, Li; Liu, Deming

2012-11-05

We present and numerically characterize a liquid-core photonic crystal fiber based plasmonic sensor. The coupling properties and sensing performance are investigated by the finite element method. It is found that not only the plasmonic mode dispersion relation but also the fundamental mode dispersion relation is rather sensitive to the analyte refractive index (RI). The positive and negative RI sensitivity coexist in the proposed design. It features a positive RI sensitivity when the increment of the SPP mode effective index is larger than that of the fundamental mode, but the sensor shows a negative RI sensitivity once the increment of the fundamental mode gets larger. A maximum negative RI sensitivity of -5500nm/RIU (Refractive Index Unit) is achieved in the sensing range of 1.50-1.53. The effects of the structural parameters on the plasmonic excitations are also studied, with a view of tuning and optimizing the resonant spectrum.

Ontic structural realism and quantum field theory: Are there intrinsic properties at the most fundamental level of reality?

NASA Astrophysics Data System (ADS)

Berghofer, Philipp

2018-05-01

Ontic structural realism refers to the novel, exciting, and widely discussed basic idea that the structure of physical reality is genuinely relational. In its radical form, the doctrine claims that there are, in fact, no objects but only structure, i.e., relations. More moderate approaches state that objects have only relational but no intrinsic properties. In its most moderate and most tenable form, ontic structural realism assumes that at the most fundamental level of physical reality there are only relational properties. This means that the most fundamental objects only possess relational but no non-reducible intrinsic properties. The present paper will argue that our currently best physics refutes even this most moderate form of ontic structural realism. More precisely, I will claim that 1) according to quantum field theory, the most fundamental objects of matter are quantum fields and not particles, and show that 2) according to the Standard Model, quantum fields have intrinsic non-relational properties.

Pressure-induced superconductivity in the iron-based ladder material BaFe2S3.

PubMed

Takahashi, Hiroki; Sugimoto, Akira; Nambu, Yusuke; Yamauchi, Touru; Hirata, Yasuyuki; Kawakami, Takateru; Avdeev, Maxim; Matsubayashi, Kazuyuki; Du, Fei; Kawashima, Chizuru; Soeda, Hideto; Nakano, Satoshi; Uwatoko, Yoshiya; Ueda, Yutaka; Sato, Taku J; Ohgushi, Kenya

2015-10-01

All the iron-based superconductors identified so far share a square lattice composed of Fe atoms as a common feature, despite having different crystal structures. In copper-based materials, the superconducting phase emerges not only in square-lattice structures but also in ladder structures. Yet iron-based superconductors without a square-lattice motif have not been found, despite being actively sought out. Here, we report the discovery of pressure-induced superconductivity in the iron-based spin-ladder material BaFe2S3, a Mott insulator with striped-type magnetic ordering below ∼120 K. On the application of pressure this compound exhibits a metal-insulator transition at about 11 GPa, followed by the appearance of superconductivity below Tc = 14 K, right after the onset of the metallic phase. Our findings indicate that iron-based ladder compounds represent promising material platforms, in particular for studying the fundamentals of iron-based superconductivity.

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

NASA Technical Reports Server (NTRS)

Law, C. K.

1984-01-01

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Bacteriophage lambda: The path from biology to theranostic agent.

PubMed

Catalano, Carlos E

2018-03-13

Viral particles provide an attractive platform for the engineering of semisynthetic therapeutic nanoparticles. They can be modified both genetically and chemically in a defined manner to alter their surface characteristics, for targeting specific cell types, to improve their pharmacokinetic features and to attenuate (or enhance) their antigenicity. These advantages derive from a detailed understanding of virus biology, gleaned from decades of fundamental genetic, biochemical, and structural studies that have provided mechanistic insight into virus assembly pathways. In particular, bacteriophages offer significant advantages as nanoparticle platforms and several have been adapted toward the design and engineering of "designer" nanoparticles for therapeutic and diagnostic (theranostic) applications. The present review focuses on one such virus, bacteriophage lambda; I discuss the biology of lambda, the tools developed to faithfully recapitulate the lambda assembly reactions in vitro and the observations that have led to cooptation of the lambda system for nanoparticle design. This discussion illustrates how a fundamental understanding of virus assembly has allowed the rational design and construction of semisynthetic nanoparticles as potential theranostic agents and illustrates the concept of benchtop to bedside translational research. This article is categorized under: Biology-Inspired Nanomaterials> Protein and Virus-Based Structures Biology-Inspired Nanomaterials> Nucleic Acid-Based Structures. © 2018 Wiley Periodicals, Inc.

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain

DOE PAGES

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; ...

2016-06-13

Two-dimensional (2D) nanostructures emerge as one of leading topics in fundamental materials science and could enable next generation nanoelectronic devices. Beyond graphene and molybdenum disulphide, layered complex oxides are another large group of promising 2D candidates because of their strong interplay of intrinsic charge, spin, orbital and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials exhibiting new phenomena beyond their conventional form. Here we report the strain-driven self-assembly of Bismuth-based supercells (SC) with a 2D layered structure, and elucidate the fundamental growth mechanism with combined experimental tools and first-principles calculations.more » The study revealed that the new layered structures were formed by the strain-enabled self-assembled atomic layer stacking, i.e., alternative growth of Bi 2O 2 layer and [Fe 0.5Mn 0.5]O 6 layer. The strain-driven approach is further demonstrated in other SC candidate systems with promising room-temperature multiferroic properties. This well-integrated theoretical and experimental study inspired by the Materials Genome Initiatives opens up a new avenue in searching and designing novel 2D layered complex oxides with enormous promises.« less

X-ray Scattering Combined with Coordinate-Based Analyses for Applications in Natural and Artificial Photosynthesis

PubMed Central

Tiede, David M.; Mardis, Kristy L.; Zuo, Xiaobing

2009-01-01

Advances in x-ray light sources and detectors have created opportunities for advancing our understanding of structure and structural dynamics for supramolecular assemblies in solution by combining x-ray scattering measurement with coordinate-based modeling methods. In this review the foundations for x-ray scattering are discussed and illustrated with selected examples demonstrating the ability to correlate solution x-ray scattering measurements to molecular structure, conformation, and dynamics. These approaches are anticipated to have a broad range of applications in natural and artificial photosynthesis by offering possibilities for structure resolution for dynamic supramolecular assemblies in solution that can not be fully addressed with crystallographic techniques, and for resolving fundamental mechanisms for solar energy conversion by mapping out structure in light-excited reaction states. PMID:19636808

Overview of mechanics of materials branch activities in the computational structures area

NASA Technical Reports Server (NTRS)

Poe, C. C., Jr.

1992-01-01

Base programs and system programs are discussed. The base programs include fundamental research of composites and metals for airframes leading to characterization of advanced materials, models of behavior, and methods for predicting damage tolerance. Results from the base programs support the systems programs, which change as NASA's missions change. The National Aerospace Plane (NASP), Advanced Composites Technology (ACT), Airframe Structural Integrity Program (Aging Aircraft), and High Speed Research (HSR) programs are currently being supported. Airframe durability is one of the key issues in each of these system programs. The base program has four major thrusts, which will be reviewed subsequently. Additionally, several technical highlights will be reviewed for each thrust.

Relating nanoindentation to macroindentation of wood

Treesearch

Robert J. Moon; Joseph E. Jakes; Jim F. Beecher; Charles R. Frihart; Donald S. Stone

2009-01-01

Wood has several levels of hierarchical structure, spanning from the configuration of growth-rings down to the configuration of the base polymers (cellulose, hemicellulose, and lignin). The bulk properties of wood result from the culmination of interactions over all length scales. Gaps presently exist in the fundamental knowledge relating the contribution of wood...

Base units of the SI, fundamental constants and modern quantum physics.

PubMed

Bordé, Christian J

2005-09-15

Over the past 40 years, a number of discoveries in quantum physics have completely transformed our vision of fundamental metrology. This revolution starts with the frequency stabilization of lasers using saturation spectroscopy and the redefinition of the metre by fixing the velocity of light c. Today, the trend is to redefine all SI base units from fundamental constants and we discuss strategies to achieve this goal. We first consider a kinematical frame, in which fundamental constants with a dimension, such as the speed of light c, the Planck constant h, the Boltzmann constant k(B) or the electron mass m(e) can be used to connect and redefine base units. The various interaction forces of nature are then introduced in a dynamical frame, where they are completely characterized by dimensionless coupling constants such as the fine structure constant alpha or its gravitational analogue alpha(G). This point is discussed by rewriting the Maxwell and Dirac equations with new force fields and these coupling constants. We describe and stress the importance of various quantum effects leading to the advent of this new quantum metrology. In the second part of the paper, we present the status of the seven base units and the prospects of their possible redefinitions from fundamental constants in an experimental perspective. The two parts can be read independently and they point to these same conclusions concerning the redefinitions of base units. The concept of rest mass is directly related to the Compton frequency of a body, which is precisely what is measured by the watt balance. The conversion factor between mass and frequency is the Planck constant, which could therefore be fixed in a realistic and consistent new definition of the kilogram based on its Compton frequency. We discuss also how the Boltzmann constant could be better determined and fixed to replace the present definition of the kelvin.

Assessing recall, conceptualization, and transfer capabilities of novice biochemistry students' across learning style preferences as revealed by self-explanations

NASA Astrophysics Data System (ADS)

Hilsenbeck-Fajardo, Jacqueline L.

2009-08-01

The research described herein is a multi-dimensional attempt to measure student's abilities to recall, conceptualize, and transfer fundamental and dynamic protein structure concepts as revealed by their own diagrammatic (pictorial) representations and written self-explanations. A total of 120 participants enrolled in a 'Fundamentals of Biochemistry' course contributed to this mixed-methodological study. The population of interest consisted primarily of pre-nursing and sport and exercise science majors. This course is typically associated with a high (<30%) combined drop/failure rate, thus the course provided the researcher with an ideal context in which to apply novel transfer assessment strategies. In the past, students within this population have reported very little chemistry background. In the following study, student-generated diagrammatic representations and written explanations were coded thematically using a highly objective rubric that was designed specifically for this study. Responses provided by the students were characterized on the macroscopic, microscopic, molecular-level, and integrated scales. Recall knowledge gain (i.e., knowledge that was gained through multiple-choice questioning techniques) was quantitatively correlated to learning style preferences (i.e., high-object, low-object, and non-object). Quantitative measures revealed that participants tended toward an object (i.e., snapshot) -based visualization preference, a potentially limiting factor in their desire to consider dynamic properties of fundamental biochemical contexts such as heat-induced protein denaturation. When knowledge transfer was carefully assessed within the predefined context, numerous misconceptions pertaining to the fundamental and dynamic nature of protein structure were revealed. Misconceptions tended to increase as the transfer model shifted away from the context presented in the original learning material. Ultimately, a fundamentally new, novel, and unique measure of knowledge transfer was developed as a main result of this study. It is envisioned by the researcher that this new measure of learning is applicable specifically to physical and chemical science education-based research in the form of deep transfer on the atomic-level scale.

Radiative sky cooling: fundamental physics, materials, structures, and applications

DOE PAGES

Sun, Xingshu; Sun, Yubo; Zhou, Zhiguang; ...

2017-07-29

Radiative sky cooling reduces the temperature of a system by promoting heat exchange with the sky; its key advantage is that no input energy is required. We will review the origins of radiative sky cooling from ancient times to the modern day, and illustrate how the fundamental physics of radiative cooling calls for a combination of properties that may not occur in bulk materials. A detailed comparison with recent modeling and experiments on nanophotonic structures will then illustrate the advantages of this recently emerging approach. Potential applications of these radiative cooling materials to a variety of temperature-sensitive optoelectronic devices, suchmore » as photovoltaics, thermophotovoltaics, rectennas, and infrared detectors, will then be discussed. This review will conclude by forecasting the prospects for the field as a whole in both terrestrial and space-based systems.« less

Radiative sky cooling: fundamental physics, materials, structures, and applications

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

Sun, Xingshu; Sun, Yubo; Zhou, Zhiguang

Radiative sky cooling reduces the temperature of a system by promoting heat exchange with the sky; its key advantage is that no input energy is required. We will review the origins of radiative sky cooling from ancient times to the modern day, and illustrate how the fundamental physics of radiative cooling calls for a combination of properties that may not occur in bulk materials. A detailed comparison with recent modeling and experiments on nanophotonic structures will then illustrate the advantages of this recently emerging approach. Potential applications of these radiative cooling materials to a variety of temperature-sensitive optoelectronic devices, suchmore » as photovoltaics, thermophotovoltaics, rectennas, and infrared detectors, will then be discussed. This review will conclude by forecasting the prospects for the field as a whole in both terrestrial and space-based systems.« less

Real-time in situ study of femtosecond-laser-induced periodic structures on metals by linear and nonlinear optics.

PubMed

Zhang, Jihua; He, Yizhuo; Lam, Billy; Guo, Chunlei

2017-08-21

Femtosecond-laser surface structuring on metals is investigated in real time by both fundamental and second harmonic generation (SHG) signals. The onset of surface modification and its progress can be monitored by both the fundamental and SHG probes. However, the dynamics of femtosecond-laser-induced periodic surface structures (FLIPSSs) formation can only be revealed by SHG but not fundamental because of the higher sensitivity of SHG to structural geometry on metal. Our technique provides a simple and effective way to monitor the surface modification and FLIPSS formation thresholds and allows us to obtain the optimal FLIPSS for SHG enhancement.

Implication of changing loading conditions on structural health monitoring utilising guided waves

NASA Astrophysics Data System (ADS)

Mohabuth, Munawwar; Kotousov, Andrei; Ng, Ching-Tai; Rose, L. R. Francis

2018-02-01

Structural health monitoring systems based on guided waves typically utilise a network of embedded or permanently attached sensors, allowing for the continuous detection of damage remote from a sensor location. The presence of damage is often diagnosed by analysing the residual signals from the structure after subtracting damage-free reference data. However, variations in environmental and operational conditions such as temperature, humidity, applied or thermally-induced stresses affect the measured residuals. A previously developed acoustoelastic formulation is here extended and employed as the basis for a simplified analytical model to estimate the effect of applied or thermally-induced stresses on the propagation characteristics of the fundamental Lamb wave modes. It is noted that there are special combinations of frequency, biaxial stress ratio and direction of wave propagation for which there is no change in the phase velocity of the fundamental anti-symmetric mode. The implication of these results in devising effective strategies to mitigate the effect of stress induced variations in guided-wave damage diagnostics is briefly discussed.

Fundamental period of Italian reinforced concrete buildings: comparison between numerical, experimental and Italian code simplified values

NASA Astrophysics Data System (ADS)

Ditommaso, Rocco; Carlo Ponzo, Felice; Auletta, Gianluca; Iacovino, Chiara; Nigro, Antonella

2015-04-01

Aim of this study is a comparison among the fundamental period of reinforced concrete buildings evaluated using the simplified approach proposed by the Italian Seismic code (NTC 2008), numerical models and real values retrieved from an experimental campaign performed on several buildings located in Basilicata region (Italy). With the intention of proposing simplified relationships to evaluate the fundamental period of reinforced concrete buildings, scientists and engineers performed several numerical and experimental campaigns, on different structures all around the world, to calibrate different kind of formulas. Most of formulas retrieved from both numerical and experimental analyses provides vibration periods smaller than those suggested by the Italian seismic code. However, it is well known that the fundamental period of a structure play a key role in the correct evaluation of the spectral acceleration for seismic static analyses. Generally, simplified approaches impose the use of safety factors greater than those related to in depth nonlinear analyses with the aim to cover possible unexpected uncertainties. Using the simplified formula proposed by the Italian seismic code the fundamental period is quite higher than fundamental periods experimentally evaluated on real structures, with the consequence that the spectral acceleration adopted in the seismic static analysis may be significantly different than real spectral acceleration. This approach could produces a decreasing in safety factors obtained using linear and nonlinear seismic static analyses. Finally, the authors suggest a possible update of the Italian seismic code formula for the simplified estimation of the fundamental period of vibration of existing RC buildings, taking into account both elastic and inelastic structural behaviour and the interaction between structural and non-structural elements. Acknowledgements This study was partially funded by the Italian Civil Protection Department within the project DPC-RELUIS 2014 - RS4 ''Seismic observatory of structures and health monitoring''. References R. Ditommaso, M. Vona, M. R. Gallipoli and M. Mucciarelli (2013). Evaluation and considerations about fundamental periods of damaged reinforced concrete buildings. Nat. Hazards Earth Syst. Sci., 13, 1903-1912, 2013. www.nat-hazards-earth-syst-sci.net/13/1903/2013. doi:10.5194/nhess-13-1903-2013

Free vibration analysis of microtubules based on the molecular mechanics and continuum beam theory.

PubMed

Zhang, Jin; Wang, Chengyuan

2016-10-01

A molecular structural mechanics (MSM) method has been implemented to investigate the free vibration of microtubules (MTs). The emphasis is placed on the effects of the configuration and the imperfect boundaries of MTs. It is shown that the influence of protofilament number on the fundamental frequency is strong, while the effect of helix-start number is almost negligible. The fundamental frequency is also found to decrease as the number of the blocked filaments at boundaries decreases. Subsequently, the Euler-Bernoulli beam theory is employed to reveal the physics behind the simulation results. Fitting the Euler-Bernoulli beam into the MSM data leads to an explicit formula for the fundamental frequency of MTs with various configurations and identifies a possible correlation between the imperfect boundary conditions and the length-dependent bending stiffness of MTs reported in experiments.

Rectenna System Design. [energy conversion solar power satellites

NASA Technical Reports Server (NTRS)

Woodcock, G. R.; Andryczyk, R. W.

1980-01-01

The fundamental processes involved in the operation of the rectenna system designed for the solar power satellite system are described. The basic design choices are presented based on the desired microwave rf field concentration prior to rectification and based on the ground clearance requirements for the rectenna structure. A nonconcentrating inclined planar panel with a 2 meter minimum clearance configuration is selected as a representative of the typical rectenna.

The Significance of G Protein-Coupled Receptor Crystallography for Drug Discovery

PubMed Central

Salon, John A.; Lodowski, David T.

2011-01-01

Crucial as molecular sensors for many vital physiological processes, seven-transmembrane domain G protein-coupled receptors (GPCRs) comprise the largest family of proteins targeted by drug discovery. Together with structures of the prototypical GPCR rhodopsin, solved structures of other liganded GPCRs promise to provide insights into the structural basis of the superfamily's biochemical functions and assist in the development of new therapeutic modalities and drugs. One of the greatest technical and theoretical challenges to elucidating and exploiting structure-function relationships in these systems is the emerging concept of GPCR conformational flexibility and its cause-effect relationship for receptor-receptor and receptor-effector interactions. Such conformational changes can be subtle and triggered by relatively small binding energy effects, leading to full or partial efficacy in the activation or inactivation of the receptor system at large. Pharmacological dogma generally dictates that these changes manifest themselves through kinetic modulation of the receptor's G protein partners. Atomic resolution information derived from increasingly available receptor structures provides an entrée to the understanding of these events and practically applying it to drug design. Supported by structure-activity relationship information arising from empirical screening, a unified structural model of GPCR activation/inactivation promises to both accelerate drug discovery in this field and improve our fundamental understanding of structure-based drug design in general. This review discusses fundamental problems that persist in drug design and GPCR structural determination. PMID:21969326

Compendium of GAO’s Views on the Cost Saving Proposals of the Grace Commission. Volume 1. Summary of Findings.

DTIC Science & Technology

1985-02-19

effort to develop a govern- ment-wide integrated financial management structure. Such an effort must have a solid base of fundamental concepts to guide ...initiatives address many PPSSCC debt collection concerns The PPSSCC recommendations basically parallel our prior *- recommendations and ongoing OMB...PPSSCC recommended either selling the PMAs’ facilities or adjusting the PMAs’ user fees, ratemaking process, and pricina structure. In total, the PPSSCC

Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal–Organic Frameworks

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

Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.

Growing necessity for efficient nuclear waste management is a driving force for development of alternative architectures towards fundamental understanding of mechanisms involved in actinide integration inside extended structures. In this manuscript, metal-organic frameworks (MOFs) were investigated as a model system for engineering radionuclide containing materials through utilization of unprecedented MOF modularity, which cannot be replicated in any other type of materials. Through the implementation of recent synthetic advances in the MOF field, hierarchical complexity of An-materials were built stepwise, which was only feasible due to preparation of the first examples of actinide-based frameworks with “unsaturated” metal nodes. The first successfulmore » attempts of solid-state metathesis and metal node extension in An-MOFs are reported, and the results of the former approach revealed drastic differences in chemical behavior of extended structures versus molecular species. Successful utilization of MOF modularity also allowed us to structurally characterize the first example of bimetallic An-An nodes. To the best of our knowledge, through combination of solid-state metathesis, guest incorporation, and capping linker installation, we were able to achieve the highest Th wt% in mono- and bi-actinide frameworks with minimal structural density. Overall, combination of a multistep synthetic approach with homogeneous actinide distribution and moderate solvothermal conditions could make MOFs an exceptionally powerful tool to address fundamental questions responsible for chemical behavior of An-based extended structures, and therefore, shed light on possible optimization of nuclear waste administration.« less

Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.

PubMed

Dolgopolova, Ekaterina A; Ejegbavwo, Otega A; Martin, Corey R; Smith, Mark D; Setyawan, Wahyu; Karakalos, Stavros G; Henager, Charles H; Zur Loye, Hans-Conrad; Shustova, Natalia B

2017-11-22

Growing necessity for efficient nuclear waste management is a driving force for development of alternative architectures toward fundamental understanding of mechanisms involved in actinide (An) integration inside extended structures. In this manuscript, metal-organic frameworks (MOFs) were investigated as a model system for engineering radionuclide containing materials through utilization of unprecedented MOF modularity, which cannot be replicated in any other type of materials. Through the implementation of recent synthetic advances in the MOF field, hierarchical complexity of An-materials was built stepwise, which was only feasible due to preparation of the first examples of actinide-based frameworks with "unsaturated" metal nodes. The first successful attempts of solid-state metathesis and metal node extension in An-MOFs are reported, and the results of the former approach revealed drastic differences in chemical behavior of extended structures versus molecular species. Successful utilization of MOF modularity also allowed us to structurally characterize the first example of bimetallic An-An nodes. To the best of our knowledge, through combination of solid-state metathesis, guest incorporation, and capping linker installation, we were able to achieve the highest Th wt % in mono- and biactinide frameworks with minimal structural density. Overall, the combination of a multistep synthetic approach with homogeneous actinide distribution and moderate solvothermal conditions could make MOFs an exceptionally powerful tool to address fundamental questions responsible for chemical behavior of An-based extended structures and, therefore, shed light on possible optimization of nuclear waste administration.

The Model-Based View of Scientific Theories and the Structuring of School Science Programmes

ERIC Educational Resources Information Center

Develaki, Maria

2007-01-01

Model theory in contemporary philosophy of science interprets scientific theories as sets of models, and contributes significantly to the understanding of the relation between theories, models, and the real world. The clarification of this relation is fundamental for the understanding of the nature of scientific methods and scientific knowledge…

Two dimensional finite element heat transfer models for softwood

Treesearch

Hongmei Gu; John F. Hunt

2004-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models use average thermal properties across either the radial or tangential directions and have not differentiated the effects of cellular alignment, earlywood/latewood...

Scale Construction for Graphing: An Investigation of Students' Resources

ERIC Educational Resources Information Center

Delgado, Cesar; Lucero, Margaret M.

2015-01-01

Graphing is a fundamental part of the scientific process. Scales are key but little-studied components of graphs. Adopting a resources-based framework of cognitive structure, we identify the potential intuitive resources that six undergraduates of diverse majors and years at a public US research university activated when constructing scales, and…

Tertiary structural propensities reveal fundamental sequence/structure relationships.

PubMed

Zheng, Fan; Zhang, Jian; Grigoryan, Gevorg

2015-05-05

Extracting useful generalizations from the continually growing Protein Data Bank (PDB) is of central importance. We hypothesize that the PDB contains valuable quantitative information on the level of local tertiary structural motifs (TERMs). We show that by breaking a protein structure into its constituent TERMs, and querying the PDB to characterize the natural ensemble matching each, we can estimate the compatibility of the structure with a given amino acid sequence through a metric we term "structure score." Considering submissions from recent Critical Assessment of Structure Prediction (CASP) experiments, we found a strong correlation (R = 0.69) between structure score and model accuracy, with poorly predicted regions readily identifiable. This performance exceeds that of leading atomistic statistical energy functions. Furthermore, TERM-based analysis of two prototypical multi-state proteins rapidly produced structural insights fully consistent with prior extensive experimental studies. We thus find that TERM-based analysis should have considerable utility for protein structural biology. Copyright © 2015 Elsevier Ltd. All rights reserved.

New insights from cluster analysis methods for RNA secondary structure prediction

PubMed Central

Rogers, Emily; Heitsch, Christine

2016-01-01

A widening gap exists between the best practices for RNA secondary structure prediction developed by computational researchers and the methods used in practice by experimentalists. Minimum free energy (MFE) predictions, although broadly used, are outperformed by methods which sample from the Boltzmann distribution and data mine the results. In particular, moving beyond the single structure prediction paradigm yields substantial gains in accuracy. Furthermore, the largest improvements in accuracy and precision come from viewing secondary structures not at the base pair level but at lower granularity/higher abstraction. This suggests that random errors affecting precision and systematic ones affecting accuracy are both reduced by this “fuzzier” view of secondary structures. Thus experimentalists who are willing to adopt a more rigorous, multilayered approach to secondary structure prediction by iterating through these levels of granularity will be much better able to capture fundamental aspects of RNA base pairing. PMID:26971529

Memory-Intensive Benchmarks: IRAM vs. Cache-Based Machines

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Gaeke, Brian R.; Husbands, Parry; Li, Xiaoye S.; Oliker, Leonid; Yelick, Katherine A.; Biegel, Bryan (Technical Monitor)

2002-01-01

The increasing gap between processor and memory performance has lead to new architectural models for memory-intensive applications. In this paper, we explore the performance of a set of memory-intensive benchmarks and use them to compare the performance of conventional cache-based microprocessors to a mixed logic and DRAM processor called VIRAM. The benchmarks are based on problem statements, rather than specific implementations, and in each case we explore the fundamental hardware requirements of the problem, as well as alternative algorithms and data structures that can help expose fine-grained parallelism or simplify memory access patterns. The benchmarks are characterized by their memory access patterns, their basic control structures, and the ratio of computation to memory operation.

Polarization Change in Face-Centered Cubic Opal Films

NASA Astrophysics Data System (ADS)

Wolff, Christian; Romanov, Sergei; Küchenmeister, Jens; Peschel, Ulf; Busch, Kurt

2011-10-01

Artificial opals are a popular platform for investigating fundamental properties of Photonic Crystals (PhC). In this work, we provide a theoretical analysis of polarization-resolved transmission experiments through thin opal films. Despite the full cubic symmetry of the PhC, this system provides a very efficient mechanism for manipulating the polarization state of light. Based on band structure calculations and Bloch mode analysis, we find that this effect closely resembles classical birefringence. Due to the cubic symmetry, however, a description using tensorial quantities is not possible. This indicates fundamental limitations of effective material models for Photonic Crystals and demonstrates the importance of accurately modelling the microscopic geometry of such systems.

Assessment of seismic loading on structures based on airborne LiDAR data from the Kalochori urban area (N. Greece)

NASA Astrophysics Data System (ADS)

Rovithis, Emmanouil; Kirtas, Emmanouil; Marini, Eleftheria; Bliziotis, Dimitris; Maltezos, Evangelos; Pitilakis, Dimitris; Makra, Konstantia; Savvaidis, Alexandros

2016-08-01

Airborne LiDAR monitoring integrated with field data is employed to assess the fundamental period and the seismic loading of structures composing an urban area under prescribed earthquake scenarios. Α piecewise work-flow is adopted by combining geometrical data of the building stock derived from a LiDAR-based 3D city model, structural data from in-situ inspections on representative city blocks and results of soil response analyses. The procedure is implemented in the residential area of Kalochori, (west of Thessaloniki in Northern Greece). Special attention is paid to the in-situ inspection of the building stock in order to discriminate recordings between actual buildings and man-made constructions that do not conform to seismic design codes and to acquire additional building stock data on structural materials, typologies and number of stories which is not feasible by the LiDAR process. The processed LiDAR and field data are employed to compute the fundamental period of each building by means of code-defined formulas. Knowledge of soil conditions in the Kalochoti area allows for soil response analyses to obtain free-field at ground surface under earthquake scenarios with varying return period. Upon combining the computed vibrational characteristics of the structures with the free-field response spectra, the seismic loading imposed on the structures of the urban area under investigation is derived for each one of the prescribed seismic motions. Results are presented in GIS environment in the form of spatially distributed spectral accelerations with direct implications in seismic vulnerability studies of an urban area.

Atomistic basis for the plastic yield criterion of metallic glass.

PubMed

Schuh, Christopher A; Lund, Alan C

2003-07-01

Because of their disordered atomic structure, amorphous metals (termed metallic glasses) have fundamentally different deformation mechanisms compared with polycrystalline metals. These different mechanisms give metallic glasses high strength, but the extent to which they affect other macroscopic deformation properties is uncertain. For example, the nature of the plastic-yield criterion is a point of contention, with some studies reporting yield behaviour roughly in line with that of polycrystalline metals, and others indicating strong fundamental differences. In particular, it is unclear whether pressure- or normal stress-dependence needs to be included in the plastic-yield criterion of metallic glasses, and how such a dependence could arise from their disordered structure. In this work we provide an atomic-level explanation for pressure-dependent yield in amorphous metals, based on an elementary unit of deformation. This simple model compares favourably with new atomistic simulations of metallic glasses, as well as existing experimental data.

"Genetically Engineered" Nanoelectronics

NASA Technical Reports Server (NTRS)

Klimeck, Gerhard; Salazar-Lazaro, Carlos H.; Stoica, Adrian; Cwik, Thomas

2000-01-01

The quantum mechanical functionality of nanoelectronic devices such as resonant tunneling diodes (RTDs), quantum well infrared-photodetectors (QWIPs), quantum well lasers, and heterostructure field effect transistors (HFETs) is enabled by material variations on an atomic scale. The design and optimization of such devices requires a fundamental understanding of electron transport in such dimensions. The Nanoelectronic Modeling Tool (NEMO) is a general-purpose quantum device design and analysis tool based on a fundamental non-equilibrium electron transport theory. NEW was combined with a parallelized genetic algorithm package (PGAPACK) to evolve structural and material parameters to match a desired set of experimental data. A numerical experiment that evolves structural variations such as layer widths and doping concentrations is performed to analyze an experimental current voltage characteristic. The genetic algorithm is found to drive the NEMO simulation parameters close to the experimentally prescribed layer thicknesses and doping profiles. With such a quantitative agreement between theory and experiment design synthesis can be performed.

From Surveillance to Intervention: Overview and Baseline Findings for the Active City of Liverpool Active Schools and SportsLinx (A-CLASS) Project

PubMed Central

McWhannell, Nicola; Henaghan, Jayne L.

2018-01-01

This paper outlines the implementation of a programme of work that started with the development of a population-level children’s health, fitness and lifestyle study in 1996 (SportsLinx) leading to selected interventions one of which is described in detail: the Active City of Liverpool, Active Schools and SportsLinx (A-CLASS) Project. The A-CLASS Project aimed to quantify the effectiveness of structured and unstructured physical activity (PA) programmes on children’s PA, fitness, body composition, bone health, cardiac and vascular structures, fundamental movement skills, physical self-perception and self-esteem. The study was a four-arm parallel-group school-based cluster randomised controlled trial (clinical trials no. NCT02963805), and compared different exposure groups: a high intensity PA (HIPA) group, a fundamental movement skill (FMS) group, a PA signposting (PASS) group and a control group, in a two-schools-per-condition design. Baseline findings indicate that children’s fundamental movement skill competence levels are low-to-moderate, yet these skills are inversely associated with percentage body fat. Outcomes of this project will make an important contribution to the design and implementation of children’s PA promotion initiatives.

Hollow latex particles: synthesis and applications.

PubMed

McDonald, Charles J; Devon, Michael J

2002-12-02

One of the major developments in emulsion polymerization over the last two decades has been the ability to make hollow latex particles. This has contributed many fundamental insights into the synthesis and the development of structure in particles. Hollow latex particles also enhance the performance of industrial coatings and potentially are useful in other technologies such as microencapsulation and controlled release. Ever since the publication of the initial process patents describing these particles, there has been a global R&D effort to extend the synthetic techniques and applications. One prominent synthetic approach to hollow particles is based on osmotic swelling. This dominates the literature, and usually starts with the synthesis of a structured latex particle containing an ionizable core that is subsequently expanded with the addition of base. Fundamental to this approach are a sophisticated control of transport phenomena, chemical reactivity within the particle, and the thermoplastic properties of the polymer shell. Hydrocarbon encapsulation technology has also been employed to make hollow latex particles. One approach involves a dispersed ternary system that balances transport, conversion kinetics, and phase separation variables to achieve the hollow morphology. Other techniques, including the use of blowing agents, are also present in the literature. The broad range of approaches that affords particles with a hollow structure demonstrates the unique flexibility of the emulsion polymerization process.

Optimal design of high-rise buildings with respect to fundamental eigenfrequency

NASA Astrophysics Data System (ADS)

Alavi, Arsalan; Rahgozar, Reza; Torkzadeh, Peyman; Hajabasi, Mohamad Ali

2017-12-01

In modern tall and slender structures, dynamic responses are usually the dominant design requirements, instead of strength criteria. Resonance is often a threatening phenomenon for such structures. To avoid this problem, the fundamental eigenfrequency, an eigenfrequency of higher order, should be maximized. An optimization problem with this objective is constructed in this paper and is applied to a high-rise building. Using variational method, the objective function is maximized, contributing to a particular profile for the first mode shape. Based on this preselected profile, a parametric formulation for flexural stiffness is calculated. Due to some near-zero values for stiffness, the obtained formulation will be modified by adding a lower bound constraint. To handle this constraint some new parameters are introduced; thereby allowing for construction of a model relating the unknown parameters. Based on this mathematical model, a design algorithmic procedure is presented. For the sake of convenience, a single-input design graph is presented as well. The main merit of the proposed method, compared to previous researches, is its hand calculation aspect, suitable for parametric studies and sensitivity analysis. As the presented formulations are dimensionless, they are applicable in any dimensional system. Accuracy and practicality of the proposed method is illustrated at the end by applying it to a real-life structure.

Deciphering complex, functional structures with synchrotron-based absorption and phase contrast tomographic microscopy

NASA Astrophysics Data System (ADS)

Stampanoni, M.; Reichold, J.; Weber, B.; Haberthür, D.; Schittny, J.; Eller, J.; Büchi, F. N.; Marone, F.

2010-09-01

Nowadays, thanks to the high brilliance available at modern, third generation synchrotron facilities and recent developments in detector technology, it is possible to record volumetric information at the micrometer scale within few minutes. High signal-to-noise ratio, quantitative information on very complex structures like the brain micro vessel architecture, lung airways or fuel cells can be obtained thanks to the combination of dedicated sample preparation protocols, in-situ acquisition schemes and cutting-edge imaging analysis instruments. In this work we report on recent experiments carried out at the TOMCAT beamline of the Swiss Light Source [1] where synchrotron-based tomographic microscopy has been successfully used to obtain fundamental information on preliminary models for cerebral fluid flow [2], to provide an accurate mesh for 3D finite-element simulation of the alveolar structure of the pulmonary acinus [3] and to investigate the complex functional mechanism of fuel cells [4]. Further, we introduce preliminary results on the combination of absorption and phase contrast microscopy for the visualization of high-Z nanoparticles in soft tissues, a fundamental information when designing modern drug delivery systems [5]. As an outlook we briefly discuss the new possibilities offered by high sensitivity, high resolution grating interferomtery as well as Zernike Phase contrast nanotomography [6].

Ring system-based chemical graph generation for de novo molecular design

NASA Astrophysics Data System (ADS)

Miyao, Tomoyuki; Kaneko, Hiromasa; Funatsu, Kimito

2016-05-01

Generating chemical graphs in silico by combining building blocks is important and fundamental in virtual combinatorial chemistry. A premise in this area is that generated structures should be irredundant as well as exhaustive. In this study, we develop structure generation algorithms regarding combining ring systems as well as atom fragments. The proposed algorithms consist of three parts. First, chemical structures are generated through a canonical construction path. During structure generation, ring systems can be treated as reduced graphs having fewer vertices than those in the original ones. Second, diversified structures are generated by a simple rule-based generation algorithm. Third, the number of structures to be generated can be estimated with adequate accuracy without actual exhaustive generation. The proposed algorithms were implemented in structure generator Molgilla. As a practical application, Molgilla generated chemical structures mimicking rosiglitazone in terms of a two dimensional pharmacophore pattern. The strength of the algorithms lies in simplicity and flexibility. Therefore, they may be applied to various computer programs regarding structure generation by combining building blocks.

GaAs-based micro/nanomechanical resonators

NASA Astrophysics Data System (ADS)

Yamaguchi, Hiroshi

2017-10-01

Micro/nanomechanical resonators have been extensively studied both for device applications, such as high-performance sensors and high-frequency devices, and for fundamental science, such as quantum physics in macroscopic objects. The advantages of GaAs-based semiconductor heterostructures include improved mechanical properties through strain engineering, highly controllable piezoelectric transduction, carrier-mediated optomechanical coupling, and hybridization with quantum low-dimensional structures. This article reviews our recent activities, as well as those of other groups, on the physics and applications of mechanical resonators fabricated using GaAs-based heterostructures.

Identifying local structural states in atomic imaging by computer vision

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

Laanait, Nouamane; Ziatdinov, Maxim; He, Qian

The availability of atomically resolved imaging modalities enables an unprecedented view into the local structural states of materials, which manifest themselves by deviations from the fundamental assumptions of periodicity and symmetry. Consequently, approaches that aim to extract these local structural states from atomic imaging data with minimal assumptions regarding the average crystallographic configuration of a material are indispensable to advances in structural and chemical investigations of materials. Here, we present an approach to identify and classify local structural states that is rooted in computer vision. This approach introduces a definition of a structural state that is composed of both localmore » and non-local information extracted from atomically resolved images, and is wholly untethered from the familiar concepts of symmetry and periodicity. Instead, this approach relies on computer vision techniques such as feature detection, and concepts such as scale-invariance. We present the fundamental aspects of local structural state extraction and classification by application to simulated scanning transmission electron microscopy images, and analyze the robustness of this approach in the presence of common instrumental factors such as noise, limited spatial resolution, and weak contrast. Finally, we apply this computer vision-based approach for the unsupervised detection and classification of local structural states in an experimental electron micrograph of a complex oxides interface, and a scanning tunneling micrograph of a defect engineered multilayer graphene surface.« less

Identifying local structural states in atomic imaging by computer vision

DOE PAGES

Laanait, Nouamane; Ziatdinov, Maxim; He, Qian; ...

2016-11-02

The availability of atomically resolved imaging modalities enables an unprecedented view into the local structural states of materials, which manifest themselves by deviations from the fundamental assumptions of periodicity and symmetry. Consequently, approaches that aim to extract these local structural states from atomic imaging data with minimal assumptions regarding the average crystallographic configuration of a material are indispensable to advances in structural and chemical investigations of materials. Here, we present an approach to identify and classify local structural states that is rooted in computer vision. This approach introduces a definition of a structural state that is composed of both localmore » and non-local information extracted from atomically resolved images, and is wholly untethered from the familiar concepts of symmetry and periodicity. Instead, this approach relies on computer vision techniques such as feature detection, and concepts such as scale-invariance. We present the fundamental aspects of local structural state extraction and classification by application to simulated scanning transmission electron microscopy images, and analyze the robustness of this approach in the presence of common instrumental factors such as noise, limited spatial resolution, and weak contrast. Finally, we apply this computer vision-based approach for the unsupervised detection and classification of local structural states in an experimental electron micrograph of a complex oxides interface, and a scanning tunneling micrograph of a defect engineered multilayer graphene surface.« less

Graph distance for complex networks

NASA Astrophysics Data System (ADS)

Shimada, Yutaka; Hirata, Yoshito; Ikeguchi, Tohru; Aihara, Kazuyuki

2016-10-01

Networks are widely used as a tool for describing diverse real complex systems and have been successfully applied to many fields. The distance between networks is one of the most fundamental concepts for properly classifying real networks, detecting temporal changes in network structures, and effectively predicting their temporal evolution. However, this distance has rarely been discussed in the theory of complex networks. Here, we propose a graph distance between networks based on a Laplacian matrix that reflects the structural and dynamical properties of networked dynamical systems. Our results indicate that the Laplacian-based graph distance effectively quantifies the structural difference between complex networks. We further show that our approach successfully elucidates the temporal properties underlying temporal networks observed in the context of face-to-face human interactions.

A Comprehensive Review of the Study and Development of Microcapsule Based Self-Resilience Systems for Concrete Structures at Shenzhen University

PubMed Central

Han, Ning-Xu; Xing, Feng

2016-01-01

A review of the research activities and achievements at Shenzhen University is conducted in this paper concerning the creation and further development of novel microcapsule based self-resilience systems for their application in concrete structures. After a brief description of pioneering works in the field starting about 10 years ago, the principles raised in the relevant research are examined, where fundamental terms related to the concept of resilience are discussed. Several breakthrough points are highlighted concerning the three adopted comprehensive self-resilience systems, namely physical, chemical and microbial systems. The major challenges regarding evaluation are emphasized and further development concerning self-resilience in concrete structures will be addressed. PMID:28772362

A Comprehensive Review of the Study and Development of Microcapsule Based Self-Resilience Systems for Concrete Structures at Shenzhen University.

PubMed

Han, Ning-Xu; Xing, Feng

2016-12-22

A review of the research activities and achievements at Shenzhen University is conducted in this paper concerning the creation and further development of novel microcapsule based self-resilience systems for their application in concrete structures. After a brief description of pioneering works in the field starting about 10 years ago, the principles raised in the relevant research are examined, where fundamental terms related to the concept of resilience are discussed. Several breakthrough points are highlighted concerning the three adopted comprehensive self-resilience systems, namely physical, chemical and microbial systems. The major challenges regarding evaluation are emphasized and further development concerning self-resilience in concrete structures will be addressed.

Digging deeper on "deep" learning: A computational ecology approach.

PubMed

Buscema, Massimo; Sacco, Pier Luigi

2017-01-01

We propose an alternative approach to "deep" learning that is based on computational ecologies of structurally diverse artificial neural networks, and on dynamic associative memory responses to stimuli. Rather than focusing on massive computation of many different examples of a single situation, we opt for model-based learning and adaptive flexibility. Cross-fertilization of learning processes across multiple domains is the fundamental feature of human intelligence that must inform "new" artificial intelligence.

Step-by-step growth of complex oxide microstructures

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

Datskos, Panos G.; Cullen, David A.; Sharma, Jaswinder K.

The synthesis of complex and hybrid oxide microstructures is of fundamental interest and practical applications. However, the design and synthesis of such structures is a challenging task. A solution-phase process to synthesize complex silica and silica-titania hybrid microstructures was developed by exploiting the emulsion-droplet-based step-by-step growth featuring shape control. Lastly, the strategy is robust and can be extended to the preparation of complex hybrid structures consisting of two or more materials, with each having its own shape.

Step-by-step growth of complex oxide microstructures

DOE PAGES

Datskos, Panos G.; Cullen, David A.; Sharma, Jaswinder K.

2015-06-10

The synthesis of complex and hybrid oxide microstructures is of fundamental interest and practical applications. However, the design and synthesis of such structures is a challenging task. A solution-phase process to synthesize complex silica and silica-titania hybrid microstructures was developed by exploiting the emulsion-droplet-based step-by-step growth featuring shape control. Lastly, the strategy is robust and can be extended to the preparation of complex hybrid structures consisting of two or more materials, with each having its own shape.

Photo-control of nanointeractions.

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

Thomes, William Joseph, Jr.; Potter, Barrett George, Jr.; Jiang, Liu

2005-02-01

The manipulation of physical interactions between structural moieties on the molecular scale is a fundamental hurdle in the realization and operation of nanostructured materials and high surface area microsystem architectures. These include such nano-interaction-based phenomena as self-assembly, fluid flow, and interfacial tribology. The proposed research utilizes photosensitive molecular structures to tune such interactions reversibly. This new material strategy provides optical actuation of nano-interactions impacting behavior on both the nano- and macroscales and with potential to impact directed nanostructure formation, microfluidic rheology, and tribological control.

Physics based calculation of the fine structure constant

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

Lestone, John Paul

2009-01-01

We assume that the coupling between particles and photons is defined by a surface area and a temperature, and that the square of the temperature is the inverse of the surface area ({Dirac_h}=c= 1). By making assumptions regarding stimulated emission and effects associated with the finite length of a string that forms the particle surface, the fine structure constant is calculated to be {approx}1/137.04. The corresponding calculated fundamental unit of charge is 1.6021 x 10{sup -19} C.

Fundamental constraints on the performance of broadband ultrasonic matching structures and absorbers.

PubMed

Acher, O; Bernard, J M L; Maréchal, P; Bardaine, A; Levassort, F

2009-04-01

Recent fundamental results concerning the ultimate performance of electromagnetic absorbers were adapted and extrapolated to the field of sound waves. It was possible to deduce some appropriate figures of merit indicating whether a particular structure was close to the best possible matching properties. These figures of merit had simple expressions and were easy to compute in practical cases. Numerical examples illustrated that conventional state-of-the-art matching structures had an overall efficiency of approximately 50% of the fundamental limit. However, if the bandwidth at -6 dB was retained as a benchmark, the achieved bandwidth would be, at most, 12% of the fundamental limit associated with the same mass for the matching structure. Consequently, both encouragement for future improvements and accurate estimates of the surface mass required to obtain certain desired broadband properties could be provided. The results presented here can be used to investigate the broadband sound absorption and to benchmark passive and active noise control systems.

SEMI-SUPERVISED OBJECT RECOGNITION USING STRUCTURE KERNEL

PubMed Central

Wang, Botao; Xiong, Hongkai; Jiang, Xiaoqian; Ling, Fan

2013-01-01

Object recognition is a fundamental problem in computer vision. Part-based models offer a sparse, flexible representation of objects, but suffer from difficulties in training and often use standard kernels. In this paper, we propose a positive definite kernel called “structure kernel”, which measures the similarity of two part-based represented objects. The structure kernel has three terms: 1) the global term that measures the global visual similarity of two objects; 2) the part term that measures the visual similarity of corresponding parts; 3) the spatial term that measures the spatial similarity of geometric configuration of parts. The contribution of this paper is to generalize the discriminant capability of local kernels to complex part-based object models. Experimental results show that the proposed kernel exhibit higher accuracy than state-of-art approaches using standard kernels. PMID:23666108

Hydrodynamic impact of a system with a single elastic mode I : theory and generalized solution with an application to an elastic airframe

NASA Technical Reports Server (NTRS)

Mayo, Wilbur L

1952-01-01

Solutions of impact of a rigid prismatic float connected by a massless spring to a rigid upper mass are presented. The solutions are based on hydrodynamic theory which has been experimentally confirmed for a rigid structure. Equations are given for defining the spring constant and the ratio of the sprung mass to the lower mass so that the two-mass system provides representation of the fundamental mode of an airplane wing. The forces calculated are more accurate than the forces which would be predicted for a rigid airframe since the effect of the fundamental mode on the hydrodynamic force is taken into account. In a comparison of the theoretical data with data for a severe flight-test landing impact, the effect of the fundamental mode on the hydrodynamic force is considered and response data are compared with experimental data.

Embedding fundamental care in the pre-registration nursing curriculum: Results from a pilot study.

PubMed

Feo, Rebecca; Donnelly, Frank; Frensham, Lauren; Conroy, Tiffany; Kitson, Alison

2018-05-01

International evidence suggests nursing is not providing fundamental care consistently or adequately, resulting in poor outcomes for patients and healthcare systems. One possible reason for this inadequate care delivery is nursing education, with fundamental care often implicit or invisible in nursing curricula. To understand how best to teach fundamental care to pre-registration (pre-licensure) students, we developed and piloted a six-week intervention that incorporated into the first-year curriculum a more explicit focus on fundamental care. A conceptual fundamental care framework was used to guide students' learning, and clinical skills sessions were structured to reinforce the framework's conceptual understanding and enable students to practice delivering fundamental care in an integrated manner. The intervention's impact was explored via a pre-post survey and focus groups. The survey demonstrated that the intervention did not affect students' ability to identify patients' fundamental care needs; however, focus groups showed the intervention assisted students in understanding the complexity of fundamental care and its importance to patients' experiences. The pilot provides preliminary evidence on the importance of embedding fundamental care into nursing curricula early and explicitly, and emphasising the integrated nature of such care, particularly through structured debriefs, consistent terminology, and opportunities for students to experience care as a patient. Copyright © 2018 Elsevier Ltd. All rights reserved.

Three’s company: The fission yeast actin cytoskeleton

PubMed Central

Kovar, David R.; Sirotkin, Vladimir; Lord, Matthew

2010-01-01

How the actin cytoskeleton assembles into different structures to drive diverse cellular processes is a fundamental cell biological question. In addition to orchestrating the appropriate combination of regulators and actin-binding proteins, different actin-based structures must insulate themselves from one another to maintain specificity within a crowded cytoplasm. Actin specification is particularly vexing in complex eukaryotes where a multitude of protein isoforms and actin structures operate within the same cell. Fission yeast Schizosaccharomyces pombe possesses a single actin isoform that functions in three distinct structures throughout the cell cycle. In this review, we explore recent studies in fission yeast that help unravel how different actin structures operate in cells. PMID:21145239

Chemically derived graphene oxide: towards large-area thin-film electronics and optoelectronics.

PubMed

Eda, Goki; Chhowalla, Manish

2010-06-11

Chemically derived graphene oxide (GO) possesses a unique set of properties arising from oxygen functional groups that are introduced during chemical exfoliation of graphite. Large-area thin-film deposition of GO, enabled by its solubility in a variety of solvents, offers a route towards GO-based thin-film electronics and optoelectronics. The electrical and optical properties of GO are strongly dependent on its chemical and atomic structure and are tunable over a wide range via chemical engineering. In this Review, the fundamental structure and properties of GO-based thin films are discussed in relation to their potential applications in electronics and optoelectronics.

Beyond context to the skyline: thinking in 3D.

PubMed

Hoagwood, Kimberly; Olin, Serene; Cleek, Andrew

2013-01-01

Sweeping and profound structural, regulatory, and fiscal changes are rapidly reshaping the contours of health and mental health practice. The community-based practice contexts described in the excellent review by Garland and colleagues are being fundamentally altered with different business models, regional networks, accountability standards, and incentive structures. If community-based mental health services are to remain viable, the two-dimensional and flat research and practice paradigm has to be replaced with three-dimensional thinking. Failure to take seriously the changes that are happening to the larger healthcare context and respond actively through significant system redesign will lead to the demise of specialty mental health services.

Combinatorial evaluation of systems including decomposition of a system representation into fundamental cycles

DOEpatents

Oliveira, Joseph S [Richland, WA; Jones-Oliveira, Janet B [Richland, WA; Bailey, Colin G [Wellington, NZ; Gull, Dean W [Seattle, WA

2008-07-01

One embodiment of the present invention includes a computer operable to represent a physical system with a graphical data structure corresponding to a matroid. The graphical data structure corresponds to a number of vertices and a number of edges that each correspond to two of the vertices. The computer is further operable to define a closed pathway arrangement with the graphical data structure and identify each different one of a number of fundamental cycles by evaluating a different respective one of the edges with a spanning tree representation. The fundamental cycles each include three or more of the vertices.

On the Modularity of Implicit Sequence Learning: Independent Acquisition of Spatial, Symbolic, and Manual Sequences

ERIC Educational Resources Information Center

Goschke, Thomas; Bolte, Annette

2012-01-01

Learning sequential structures is of fundamental importance for a wide variety of human skills. While it has long been debated whether implicit sequence learning is perceptual or response-based, here we propose an alternative framework that cuts across this dichotomy and assumes that sequence learning rests on associative changes that can occur…

Systematic Image Based Optical Alignment and Tensegrity

NASA Technical Reports Server (NTRS)

Zeiders, Glenn W.; Montgomery, Edward E, IV (Technical Monitor)

2001-01-01

This presentation will review the objectives and current status of two Small Business Innovative Research being performed by the Sirius Group, under the direction of MSFC. They all relate to the development of advanced optical systems technologies for automated segmented mirror alignment techniques and fundamental design methodologies for ultralight structures. These are important to future astronomical missions in space.

The Dinosaur in the Classroom: What We Stand to Lose through Ability-Grouping in the Primary School

ERIC Educational Resources Information Center

Marks, Rachel

2014-01-01

Embedding setting (subject-based ability-grouping) into the primary school environment creates structural conflict--physically and culturally--fundamentally changing the nature of primary schools through the imposition of secondary practices and cultures and the loss of pastoral care. This article examines the hidden implications for teachers and…

Theoretical thermal conductivity equation for uniform density wood cells

Treesearch

John F. Hunt; Hongmei Gu; Patricia Lebow

2008-01-01

The anisotropy of wood creates a complex problem requiring that analyses be based on fundamental material properties and characteristics of the wood structure to solve heat transfer problems. A two-dimensional finite element model that evaluates the effective thermal conductivity of a wood cell over the full range of moisture contents and porosities was previously...

Two-dimensional finite element heat transfer model of softwood. Part I, Effective thermal conductivity

Treesearch

John F. Hunt; Hongmei Gu

2006-01-01

The anisotropy of wood complicates solution of heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models use average thermal properties across either the radial or tangential direction and do not differentiate the effects of cellular alignment, earlywood/latewood differences, or...

The Anti-University of the 1970's: A Radical View of the Two-Year Colleges.

ERIC Educational Resources Information Center

Stupak, Ronald J.

1981-01-01

Points to several areas in which two-year colleges threaten traditional higher education by producing a disproportionate number of narrowly trained drones, and by causing financial problems for four-year colleges, class structure problems based on a narrowing diploma elite, and threats to the fundamental nature of the professorial role. (WL)

Cultural Commonalities and Differences in Spatial Problem-Solving: A Computational Analysis

ERIC Educational Resources Information Center

Lovett, Andrew; Forbus, Kenneth

2011-01-01

A fundamental question in human cognition is how people reason about space. We use a computational model to explore cross-cultural commonalities and differences in spatial cognition. Our model is based upon two hypotheses: (1) the structure-mapping model of analogy can explain the visual comparisons used in spatial reasoning; and (2) qualitative,…

76 FR 39068 - Guarantee Fee Rates for Guaranteed Loans for Fiscal Year 2011; Maximum Portion of Guarantee...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-05

... fundamental structural changes in its economic base. For guaranteed loans exceeding 80 percent, such projects...'s ability to focus guarantee assistance on projects which the Agency has found particularly... farmers benefiting financially, or such projects are high impact as defined in 7 CFR 4279.155(b)(5), and...

Using Concept Mapping to Uncover Students' Knowledge Structures of Chemical Bonding Concepts

ERIC Educational Resources Information Center

Burrows, Nikita L.; Mooring, Suazette Reid

2015-01-01

General chemistry is the first undergraduate course in which students further develop their understanding of fundamental chemical concepts. Many of these fundamental topics highlight the numerous conceptual interconnections present in chemistry. However, many students possess incoherent knowledge structures regarding these topics. Therefore,…

Single-mode annular chirally-coupled core fibers for fiber lasers

NASA Astrophysics Data System (ADS)

Zhang, Haitao; Hao, He; He, Linlu; Gong, Mali

2018-03-01

Chirally-coupled core (CCC) fiber can transmit single fundamental mode and effectively suppresses higher-order mode (HOM) propagation, thus improve the beam quality. However, the manufacture of CCC fiber is complicated due to its small side core. To decrease the manufacture difficulty in China, a novel fiber structure is presented, defined as annular chirally-coupled core (ACCC) fiber, replacing the small side core by a larger side annulus. In this paper, we designed the fiber parameters of this new structure, and demonstrated that the new structure has a similar property of single mode with traditional CCC fiber. Helical coordinate system was introduced into the finite element method (FEM) to analyze the mode field in the fiber, and the beam propagation method (BPM) was employed to analyze the influence of the fiber parameters on the mode loss. Based on the result above, the fiber structure was optimized for efficient single-mode transmission, in which the core diameter is 35 μm with beam quality M2 value of 1.04 and an optical to optical conversion efficiency of 84%. In this fiber, fundamental mode propagates in an acceptable loss, while the HOMs decay rapidly.

Untangling the fungal niche: the trait-based approach.

PubMed

Crowther, Thomas W; Maynard, Daniel S; Crowther, Terence R; Peccia, Jordan; Smith, Jeffrey R; Bradford, Mark A

2014-01-01

Fungi are prominent components of most terrestrial ecosystems, both in terms of biomass and ecosystem functioning, but the hyper-diverse nature of most communities has obscured the search for unifying principles governing community organization. In particular, unlike plants and animals, observational studies provide little evidence for the existence of niche processes in structuring fungal communities at broad spatial scales. This limits our capacity to predict how communities, and their functioning, vary across landscapes. We outline how a shift in focus, from taxonomy toward functional traits, might prove to be valuable in the search for general patterns in fungal ecology. We build on theoretical advances in plant and animal ecology to provide an empirical framework for a trait-based approach in fungal community ecology. Drawing upon specific characteristics of the fungal system, we highlight the significance of drought stress and combat in structuring free-living fungal communities. We propose a conceptual model to formalize how trade-offs between stress-tolerance and combative dominance are likely to organize communities across environmental gradients. Given that the survival of a fungus in a given environment is contingent on its ability to tolerate antagonistic competitors, measuring variation in combat trait expression along environmental gradients provides a means of elucidating realized, from fundamental niche spaces. We conclude that, using a trait-based understanding of how niche processes structure fungal communities across time and space, we can ultimately link communities with ecosystem functioning. Our trait-based framework highlights fundamental uncertainties that require testing in the fungal system, given their potential to uncover general mechanisms in fungal ecology.

Three-particle annihilation in a 2D heterostructure revealed through data-hypercubic photoresponse microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gabor, Nathaniel M.

2017-05-01

Van de Waals (vdW) heterostructures - which consist of precisely assembled atomically thin electronic materials - exhibit unusual quantum behavior. These quantum materials-by-design are of fundamental interest in basic scientific research and hold tremendous potential in advanced technological applications. Problematically, the fundamental optoelectronic response in these heterostructures is difficult to access using the standard techniques within the traditions of materials science and condensed matter physics. In the standard approach, characterization is based on the measurement of a small amount of one-dimensional data, which is used to gain a precise picture of the material properties of the sample. However, these techniques are fundamentally lacking in describing the complex interdependency of experimental degrees of freedom in vdW heterostructures. In this talk, I will present our recent experiments that utilize a highly data-intensive approach to gain deep understanding of the infrared photoresponse in vdW heterostructure photodetectors. These measurements, which combine state-of-the-art data analytics and measurement design with fundamentally new device structures and experimental parameters, give a clear picture of electron-hole pair interactions at ultrafast time scales.

Constraining possible variations of the fine structure constant in strong gravitational fields with the Kα iron line

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

Bambi, Cosimo, E-mail: bambi@fudan.edu.cn

2014-03-01

In extensions of general relativity and in theories aiming at unifying gravity with the forces of the Standard Model, the value of the ''fundamental constants'' is often determined by the vacuum expectation value of new fields, which may thus change in different backgrounds. Variations of fundamental constants with respect to the values measured today in laboratories on Earth are expected to be more evident on cosmological timescales and/or in strong gravitational fields. In this paper, I show that the analysis of the Kα iron line observed in the X-ray spectrum of black holes can potentially be used to probe themore » fine structure constant α in gravitational potentials relative to Earth of Δφ ≈ 0.1. At present, systematic effects not fully under control prevent to get robust and stringent bounds on possible variations of the value of α with this technique, but the fact that current data can be fitted with models based on standard physics already rules out variations of the fine structure constant larger than some percent.« less

Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships

PubMed Central

Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

2015-01-01

Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to the strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries. PMID:26498715

Grain boundary plane orientation fundamental zones and structure-property relationships

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

Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

2015-10-26

Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to themore » strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.« less

Self-assembly strategies for the synthesis of functional nanostructured materials

NASA Astrophysics Data System (ADS)

Perego, M.; Seguini, G.

2016-06-01

Self-assembly is the autonomous organization of components into patterns or structures without human intervention. This is the approach followed by nature to generate living cells and represents one of the practical strategies to fabricate ensembles of nanostructures. In static self-assembly the formation of ordered structures could require energy but once formed the structures are stable. The introduction of additional regular features in the environment could be used to template the self-assembly guiding the organization of the components and determining the final structure they form. In this regard self-assembly of block copolymers represents a potent platform for fundamental studies at the nanoscale and for application-driven investigation as a tool to fabricate functional nanostructured materials. Block copolymers can hierarchically assemble into chemically distinct domains with size and periodicity on the order of 10nm or below, offering a potentially inexpensive route to generate large-area nanostructured materials. The final structure characteristics of these materials are dictated by the properties of the elementary block copolymers, like chain length, volume fraction or degree of block incompatibility. Modern synthetic chemistry offers the possibility to design these macromolecules with very specific length scales and geometries, directly embodying in the block copolymers the code that drives their self- assembling process. The understanding of the kinetics and thermodynamics of the block copolymer self-assembly process in the bulk phase as well as in thin films represents a fundamental prerequisite toward the exploitation of these materials. Incorporating block copolymer into device fabrication procedures or directly into devices, as active elements, will lead to the development of a new generation of devices fabricated using the fundamental law of nature to our advantage in order to minimize cost and power consumption in the fabrication process. Moreover the capability to precisely organize these nano-objects on appropriate substrates is the key point to support the technological development of new device concepts with predictable characteristics based on these nano-materials. In the next coming years this area of research, at the intersection between fundamental science and technology, is expected to disclose additional insights in the physics of the self-assembly process and to delineate unforeseen applications for these exciting materials.

Cross-Linking/Mass Spectrometry for Studying Protein Structures and Protein-Protein Interactions: Where Are We Now and Where Should We Go from Here?

PubMed

Sinz, Andrea

2018-05-28

Structural mass spectrometry (MS) is gaining increasing importance for deriving valuable three-dimensional structural information on proteins and protein complexes, and it complements existing techniques, such as NMR spectroscopy and X-ray crystallography. Structural MS unites different MS-based techniques, such as hydrogen/deuterium exchange, native MS, ion-mobility MS, protein footprinting, and chemical cross-linking/MS, and it allows fundamental questions in structural biology to be addressed. In this Minireview, I will focus on the cross-linking/MS strategy. This method not only delivers tertiary structural information on proteins, but is also increasingly being used to decipher protein interaction networks, both in vitro and in vivo. Cross-linking/MS is currently one of the most promising MS-based approaches to derive structural information on very large and transient protein assemblies and intrinsically disordered proteins. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fundamental Understanding of the Interaction of Acid Gases with CeO 2 : From Surface Science to Practical Catalysis

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

Tumuluri, Uma; Rother, Gernot; Wu, Zili

Acid gases including CO 2, SO 2, and NO x are ubiquitous in large-scale energy applications including heterogeneous catalysis. The adverse environmental and health effects of these acid gases have resulted in high interest in the research and development of technologies to remove or convert these acid gases. The main challenge for the development of these technologies is to develop catalysts that are highly efficient, stable, and cost-effective, and many catalysts have been reported in this regard. CeO 2 and CeO 2-based catalysts have gained prominence in the removal and conversion of CO 2, SO 2, and NO x becausemore » of their structural robustness and redox and acid–base properties. In this article, we provide a brief overview of the application of CeO 2 and CeO 2-based catalysts for the removal of CO 2, SO 2, and NO x gases with an emphasis on the fundamental understanding of the interactions of these acid gases with CeO 2. The studies summarized in this review range from surface science using single crystals and thin films with precise crystallographic planes to practical catalysis applications of nanocrystalline and polycrystalline CeO 2 materials with defects and dopants. After an introduction to the properties of CeO 2 surfaces, their catalytic properties for conversions of different acid gases are reviewed and discussed. Lastly, we find that the surface atomic structure, oxygen vacancies, and surface acid–base properties of CeO 2 play vital roles in the surface chemistry and structure evolution during the interactions of acid gases with CeO 2 and CeO 2-based catalysts.« less

Fundamental Understanding of the Interaction of Acid Gases with CeO 2 : From Surface Science to Practical Catalysis

DOE PAGES

Tumuluri, Uma; Rother, Gernot; Wu, Zili

2016-03-21

Acid gases including CO 2, SO 2, and NO x are ubiquitous in large-scale energy applications including heterogeneous catalysis. The adverse environmental and health effects of these acid gases have resulted in high interest in the research and development of technologies to remove or convert these acid gases. The main challenge for the development of these technologies is to develop catalysts that are highly efficient, stable, and cost-effective, and many catalysts have been reported in this regard. CeO 2 and CeO 2-based catalysts have gained prominence in the removal and conversion of CO 2, SO 2, and NO x becausemore » of their structural robustness and redox and acid–base properties. In this article, we provide a brief overview of the application of CeO 2 and CeO 2-based catalysts for the removal of CO 2, SO 2, and NO x gases with an emphasis on the fundamental understanding of the interactions of these acid gases with CeO 2. The studies summarized in this review range from surface science using single crystals and thin films with precise crystallographic planes to practical catalysis applications of nanocrystalline and polycrystalline CeO 2 materials with defects and dopants. After an introduction to the properties of CeO 2 surfaces, their catalytic properties for conversions of different acid gases are reviewed and discussed. Lastly, we find that the surface atomic structure, oxygen vacancies, and surface acid–base properties of CeO 2 play vital roles in the surface chemistry and structure evolution during the interactions of acid gases with CeO 2 and CeO 2-based catalysts.« less

Astrophysical properties of star clusters in the Magellanic Clouds homogeneously estimated by ASteCA

NASA Astrophysics Data System (ADS)

Perren, G. I.; Piatti, A. E.; Vázquez, R. A.

2017-06-01

Aims: We seek to produce a homogeneous catalog of astrophysical parameters of 239 resolved star clusters, located in the Small and Large Magellanic Clouds, observed in the Washington photometric system. Methods: The cluster sample was processed with the recently introduced Automated Stellar Cluster Analysis (ASteCA) package, which ensures both an automatized and a fully reproducible treatment, together with a statistically based analysis of their fundamental parameters and associated uncertainties. The fundamental parameters determined for each cluster with this tool, via a color-magnitude diagram (CMD) analysis, are metallicity, age, reddening, distance modulus, and total mass. Results: We generated a homogeneous catalog of structural and fundamental parameters for the studied cluster sample and performed a detailed internal error analysis along with a thorough comparison with values taken from 26 published articles. We studied the distribution of cluster fundamental parameters in both Clouds and obtained their age-metallicity relationships. Conclusions: The ASteCA package can be applied to an unsupervised determination of fundamental cluster parameters, which is a task of increasing relevance as more data becomes available through upcoming surveys. A table with the estimated fundamental parameters for the 239 clusters analyzed is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/602/A89

Self-recalibration of a robot-assisted structured-light-based measurement system.

PubMed

Xu, Jing; Chen, Rui; Liu, Shuntao; Guan, Yong

2017-11-10

The structured-light-based measurement method is widely employed in numerous fields. However, for industrial inspection, to achieve complete scanning of a work piece and overcome occlusion, the measurement system needs to be moved to different viewpoints. Moreover, frequent reconfiguration of the measurement system may be needed based on the size of the measured object, making the self-recalibration of extrinsic parameters indispensable. To this end, this paper proposes an automatic self-recalibration and reconstruction method, wherein a robot arm is employed to move the measurement system for complete scanning; the self-recalibration is achieved using fundamental matrix calculations and point cloud registration without the need for an accurate calibration gauge. Experimental results demonstrate the feasibility and accuracy of our method.

Recent progress in photoactive organic field-effect transistors.

PubMed

Wakayama, Yutaka; Hayakawa, Ryoma; Seo, Hoon-Seok

2014-04-01

Recent progress in photoactive organic field-effect transistors (OFETs) is reviewed. Photoactive OFETs are divided into light-emitting (LE) and light-receiving (LR) OFETs. In the first part, LE-OFETs are reviewed from the viewpoint of the evolution of device structures. Device performances have improved in the last decade with the evolution of device structures from single-layer unipolar to multi-layer ambipolar transistors. In the second part, various kinds of LR-OFETs are featured. These are categorized according to their functionalities: phototransistors, non-volatile optical memories, and photochromism-based transistors. For both, various device configurations are introduced: thin-film based transistors for practical applications, single-crystalline transistors to investigate fundamental physics, nanowires, multi-layers, and vertical transistors based on new concepts.

DR-TAMAS: Diffeomorphic Registration for Tensor Accurate alignMent of Anatomical Structures

PubMed Central

Irfanoglu, M. Okan; Nayak, Amritha; Jenkins, Jeffrey; Hutchinson, Elizabeth B.; Sadeghi, Neda; Thomas, Cibu P.; Pierpaoli, Carlo

2016-01-01

In this work, we propose DR-TAMAS (Diffeomorphic Registration for Tensor Accurate alignMent of Anatomical Structures), a novel framework for intersubject registration of Diffusion Tensor Imaging (DTI) data sets. This framework is optimized for brain data and its main goal is to achieve an accurate alignment of all brain structures, including white matter (WM), gray matter (GM), and spaces containing cerebrospinal fluid (CSF). Currently most DTI-based spatial normalization algorithms emphasize alignment of anisotropic structures. While some diffusion-derived metrics, such as diffusion anisotropy and tensor eigenvector orientation, are highly informative for proper alignment of WM, other tensor metrics such as the trace or mean diffusivity (MD) are fundamental for a proper alignment of GM and CSF boundaries. Moreover, it is desirable to include information from structural MRI data, e.g., T1-weighted or T2-weighted images, which are usually available together with the diffusion data. The fundamental property of DR-TAMAS is to achieve global anatomical accuracy by incorporating in its cost function the most informative metrics locally. Another important feature of DR-TAMAS is a symmetric time-varying velocity-based transformation model, which enables it to account for potentially large anatomical variability in healthy subjects and patients. The performance of DR-TAMAS is evaluated with several data sets and compared with other widely-used diffeomorphic image registration techniques employing both full tensor information and/or DTI-derived scalar maps. Our results show that the proposed method has excellent overall performance in the entire brain, while being equivalent to the best existing methods in WM. PMID:26931817

DR-TAMAS: Diffeomorphic Registration for Tensor Accurate Alignment of Anatomical Structures.

PubMed

Irfanoglu, M Okan; Nayak, Amritha; Jenkins, Jeffrey; Hutchinson, Elizabeth B; Sadeghi, Neda; Thomas, Cibu P; Pierpaoli, Carlo

2016-05-15

In this work, we propose DR-TAMAS (Diffeomorphic Registration for Tensor Accurate alignMent of Anatomical Structures), a novel framework for intersubject registration of Diffusion Tensor Imaging (DTI) data sets. This framework is optimized for brain data and its main goal is to achieve an accurate alignment of all brain structures, including white matter (WM), gray matter (GM), and spaces containing cerebrospinal fluid (CSF). Currently most DTI-based spatial normalization algorithms emphasize alignment of anisotropic structures. While some diffusion-derived metrics, such as diffusion anisotropy and tensor eigenvector orientation, are highly informative for proper alignment of WM, other tensor metrics such as the trace or mean diffusivity (MD) are fundamental for a proper alignment of GM and CSF boundaries. Moreover, it is desirable to include information from structural MRI data, e.g., T1-weighted or T2-weighted images, which are usually available together with the diffusion data. The fundamental property of DR-TAMAS is to achieve global anatomical accuracy by incorporating in its cost function the most informative metrics locally. Another important feature of DR-TAMAS is a symmetric time-varying velocity-based transformation model, which enables it to account for potentially large anatomical variability in healthy subjects and patients. The performance of DR-TAMAS is evaluated with several data sets and compared with other widely-used diffeomorphic image registration techniques employing both full tensor information and/or DTI-derived scalar maps. Our results show that the proposed method has excellent overall performance in the entire brain, while being equivalent to the best existing methods in WM. Copyright © 2016 Elsevier Inc. All rights reserved.

Fundamental Effects of Aging on Creep Properties of Solution-Treated Low-Carbon N-155 Alloy

NASA Technical Reports Server (NTRS)

Frey, D N; Freeman, J W; White, A E

1950-01-01

A method is developed whereby the fundamental mechanisms are investigated by which processing, heat treatment, and chemical composition control the properties of alloys at high temperatures. The method used metallographic examination -- both optical and electronic --studies of x-ray diffraction-line widths, intensities, and lattice parameters, and hardness surveys to evaluate fundamental structural conditions. Mechanical properties at high temperatures are then measured and correlated with these measured structural conditions. In accordance with this method, a study was made of the fundamental mechanism by which aging controlled the short-time creep and rupture properties of solution-treated low-carbon n-155 alloy at 1200 degrees F.

Multiple tuned mass damper based vibration mitigation of offshore wind turbine considering soil-structure interaction

NASA Astrophysics Data System (ADS)

Hussan, Mosaruf; Sharmin, Faria; Kim, Dookie

2017-08-01

The dynamics of jacket supported offshore wind turbine (OWT) in earthquake environment is one of the progressing focuses in the renewable energy field. Soil-structure interaction (SSI) is a fundamental principle to analyze stability and safety of the structure. This study focuses on the performance of the multiple tuned mass damper (MTMD) in minimizing the dynamic responses of the structures objected to seismic loads combined with static wind and wave loads. Response surface methodology (RSM) has been applied to design the MTMD parameters. The analyses have been performed under two different boundary conditions: fixed base (without SSI) and flexible base (with SSI). Two vibration modes of the structure have been suppressed by multi-mode vibration control principle in both cases. The effectiveness of the MTMD in reducing the dynamic response of the structure is presented. The dynamic SSI plays an important role in the seismic behavior of the jacket supported OWT, especially resting on the soft soil deposit. Finally, it shows that excluding the SSI effect could be the reason of overestimating the MTMD performance.

Pump-probe spectroscopy in organic semiconductors: monitoring fundamental processes of relevance in optoelectronics.

PubMed

Cabanillas-Gonzalez, Juan; Grancini, Giulia; Lanzani, Guglielmo

2011-12-08

In this review we highlight the contribution of pump-probe spectroscopy to understand elementary processes taking place in organic based optoelectronic devices. The techniques described in this article span from conventional pump-probe spectroscopy to electromodulated pump-probe and the state-of-the-art confocal pump-probe microscopy. The article is structured according to three fundamental processes (optical gain, charge photogeneration and charge transport) and the contribution of these techniques on them. The combination of these tools opens up new perspectives for assessing the role of short-lived excited states on processes lying underneath organic device operation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Tao, Franklin

Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co 3O 4 or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with differentmore » binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few important catalytic reactions, and essentially fundamentally understand catalytic mechanism. Furthermore, this correlation will guide the design of catalysts with high activity and selectivity.« less

Space Station Freedom combustion research

NASA Technical Reports Server (NTRS)

Faeth, G. M.

1992-01-01

Extended operations in microgravity, on board spacecraft like Space Station Freedom, provide both unusual opportunities and unusual challenges for combustion science. On the one hand, eliminating the intrusion of buoyancy provides a valuable new perspective for fundamental studies of combustion phenomena. On the other hand, however, the absence of buoyancy creates new hazards of fires and explosions that must be understood to assure safe manned space activities. These considerations - and the relevance of combustion science to problems of pollutants, energy utilization, waste incineration, power and propulsion systems, and fire and explosion hazards, among others - provide strong motivation for microgravity combustion research. The intrusion of buoyancy is a greater impediment to fundamental combustion studies than to most other areas of science. Combustion intrinsically heats gases with the resulting buoyant motion at normal gravity either preventing or vastly complicating measurements. Perversely, this limitation is most evident for fundamental laboratory experiments; few practical combustion phenomena are significantly affected by buoyancy. Thus, we have never observed the most fundamental combustion phenomena - laminar premixed and diffusion flames, heterogeneous flames of particles and surfaces, low-speed turbulent flames, etc. - without substantial buoyant disturbances. This precludes rational merging of theory, where buoyancy is of little interest, and experiments, that always are contaminated by buoyancy, which is the traditional path for developing most areas of science. The current microgravity combustion program seeks to rectify this deficiency using both ground-based and space-based facilities, with experiments involving space-based facilities including: laminar premixed flames, soot processes in laminar jet diffusion flames, structure of laminar and turbulent jet diffusion flames, solid surface combustion, one-dimensional smoldering, ignition and flame spread of liquids, drop combustion, and quenching of panicle-air flames. Unfortunately, the same features that make microgravity attractive for fundamental combustion experiments, introduce new fire and explosion hazards that have no counterpart on earth. For example, microgravity can cause broader flammability limits, novel regimes of flame spread, enhanced effects of flame radiation, slower fire detector response, and enhanced combustion upon injecting fire extinguishing agents, among others. On the other hand, spacecraft provide an opportunity to use 'fire-safe' atmospheres due to their controlled environment. Investigation of these problems is just beginning, with specific fire safety experiments supplementing the space based fundamental experiments listed earlier; thus, much remains to be done to develop an adequate technology base for fire and explosion safety considerations for spacecraft.

Integrating the fundamentals of care framework in baccalaureate nursing education: An example from a nursing school in Denmark.

PubMed

Voldbjerg, Siri Lygum; Laugesen, Britt; Bahnsen, Iben Bøgh; Jørgensen, Lone; Sørensen, Ingrid Maria; Grønkjaer, Mette; Sørensen, Erik Elgaard

2018-06-01

To describe and discuss the process of integrating the Fundamentals of Care framework in a baccalaureate nursing education at a School of Nursing in Denmark. Nursing education plays an essential role in educating nurses to work within healthcare systems in which a demanding workload on nurses results in fundamental nursing care being left undone. Newly graduated nurses often lack knowledge and skills to meet the challenges of delivering fundamental care in clinical practice. To develop nursing students' understanding of fundamental nursing, the conceptual Fundamentals of Care framework has been integrated in nursing education at a School of Nursing in Denmark. Discursive paper using an adjusted descriptive case study design for describing and discussing the process of integrating the conceptual Fundamentals of Care Framework in nursing education. The process of integrating the Fundamentals of Care framework is illuminated through a description of the context, in which the process occurs including the faculty members, lectures, case-based work and simulation laboratory in nursing education. Based on this description, opportunities such as supporting a holistic approach to an evidence-based integrative patient care and challenges such as scepticism among the faculty are discussed. It is suggested how integration of Fundamentals of Care Framework in lectures, case-based work and simulation laboratory can make fundamental nursing care more explicit in nursing education, support critical thinking and underline the relevance of evidence-based practice. The process relies on a supportive context, a well-informed and engaged faculty, and continuous reflections on how the conceptual framework can be integrated. Integrating the Fundamentals of Care framework can support nursing students' critical thinking and reflection on what fundamental nursing care is and requires and eventually educate nurses in providing evidence-based fundamental nursing care. © 2018 John Wiley & Sons Ltd.

Modelling nonlinearity in superconducting split ring resonator and its effects on metamaterial structures

NASA Astrophysics Data System (ADS)

Mazdouri, Behnam; Mohammad Hassan Javadzadeh, S.

2017-09-01

Superconducting materials are intrinsically nonlinear, because of nonlinear Meissner effect (NLME). Considering nonlinear behaviors, such as harmonic generation and intermodulation distortion (IMD) in superconducting structures, are very important. In this paper, we proposed distributed nonlinear circuit model for superconducting split ring resonators (SSRRs). This model can be analyzed by using Harmonic Balance method (HB) as a nonlinear solver. Thereafter, we considered a superconducting metamaterial filter which was based on split ring resonators and we calculated fundamental and third-order IMD signals. There are good agreement between nonlinear results from proposed model and measured ones. Additionally, based on the proposed nonlinear model and by using a novel method, we considered nonlinear effects on main parameters in the superconducting metamaterial structures such as phase constant (β) and attenuation factor (α).

Retrosynthetic Analysis-Guided Breaking Tile Symmetry for the Assembly of Complex DNA Nanostructures.

PubMed

Wang, Pengfei; Wu, Siyu; Tian, Cheng; Yu, Guimei; Jiang, Wen; Wang, Guansong; Mao, Chengde

2016-10-11

Current tile-based DNA self-assembly produces simple repetitive or highly symmetric structures. In the case of 2D lattices, the unit cell often contains only one basic tile because the tiles often are symmetric (in terms of either the backbone or the sequence). In this work, we have applied retrosynthetic analysis to determine the minimal asymmetric units for complex DNA nanostructures. Such analysis guides us to break the intrinsic structural symmetries of the tiles to achieve high structural complexities. This strategy has led to the construction of several DNA nanostructures that are not accessible from conventional symmetric tile designs. Along with previous studies, herein we have established a set of four fundamental rules regarding tile-based assembly. Such rules could serve as guidelines for the design of DNA nanostructures.

Theoretical Investigations of Well-Defined Graphene Nanostructures: Catalysis, Spectroscopy, and Development of Novel Fragment-Based Models

NASA Astrophysics Data System (ADS)

Noffke, Benjamin W.

Carbon materials have the potential to replace some precious metals in renewable energy applications. These materials are particularly attractive because of the elemental abundance and relatively low nuclear mass of carbon, implying economically feasible and lightweight materials. Targeted design of carbon materials is hindered by the lack of fundamental understanding that is required to tailor their properties for the desired application. However, most available synthetic methods to create carbon materials involve harsh conditions that limit the control of the resulting structure. Without a well-defined structure, the system is too complex and fundamental studies cannot be definitive. This work seeks to gain fundamental understanding through the development and application of efficient computational models for these systems, in conjunction with experiments performed on soluble, well-defined graphene nanostructures prepared by our group using a bottom-up synthetic approach. Theory is used to determine mechanistic details for well-defined carbon systems in applications of catalysis and electrochemical transformations. The resulting computational models do well to explain previous observations of carbon materials and provide suggestions for future directions. However, as the system size of the nanostructures gets larger, the computational cost can become prohibitive. To reduce the computational scaling of quantum chemical calculations, a new fragmentation scheme has been developed that addresses the challenges of fragmenting conjugated molecules. By selecting fragments that retain important structural characteristics in graphene, a more efficient method is achieved. The new method paves the way for an automated, systematic fragmentation scheme of graphene molecules.

A discrete structure of the brain waves.

NASA Astrophysics Data System (ADS)

Dabaghian, Yuri; Perotti, Luca; oscillons in biological rhythms Collaboration; physics of biological rhythms Team

A physiological interpretation of the biological rhythms, e.g., of the local field potentials (LFP) depends on the mathematical approaches used for the analysis. Most existing mathematical methods are based on decomposing the signal into a set of ``primitives,'' e.g., sinusoidal harmonics, and correlating them with different cognitive and behavioral phenomena. A common feature of all these methods is that the decomposition semantics is presumed from the onset, and the goal of the subsequent analysis reduces merely to identifying the combination that best reproduces the original signal. We propose a fundamentally new method in which the decomposition components are discovered empirically, and demonstrate that it is more flexible and more sensitive to the signal's structure than the standard Fourier method. Applying this method to the rodent LFP signals reveals a fundamentally new structure of these ``brain waves.'' In particular, our results suggest that the LFP oscillations consist of a superposition of a small, discrete set of frequency modulated oscillatory processes, which we call ``oscillons''. Since these structures are discovered empirically, we hypothesize that they may capture the signal's actual physical structure, i.e., the pattern of synchronous activity in neuronal ensembles. Proving this hypothesis will help to advance our principal understanding of the neuronal synchronization mechanisms and reveal new structure within the LFPs and other biological oscillations. NSF 1422438 Grant, Houston Bioinformatics Endowment Fund.

Prospects and fundamental limitations of room temperature, non-avalanche, semiconductor photon-counting sensors (Conference Presentation)

NASA Astrophysics Data System (ADS)

Ma, Jiaju; Zhang, Yang; Wang, Xiaoxin; Ying, Lei; Masoodian, Saleh; Wang, Zhiyuan; Starkey, Dakota A.; Deng, Wei; Kumar, Rahul; Wu, Yang; Ghetmiri, Seyed Amir; Yu, Zongfu; Yu, Shui-Qing; Salamo, Gregory J.; Fossum, Eric R.; Liu, Jifeng

2017-05-01

This research investigates the fundamental limits and trade-space of quantum semiconductor photodetectors using the Schrödinger equation and the laws of thermodynamics.We envision that, to optimize the metrics of single photon detection, it is critical to maximize the optical absorption in the minimal volume and minimize the carrier transit process simultaneously. Integration of photon management with quantum charge transport/redistribution upon optical excitation can be engineered to maximize the quantum efficiency (QE) and data rate and minimize timing jitter at the same time. Due to the ultra-low capacitance of these quantum devices, even a single photoelectron transfer can induce a notable change in the voltage, enabling non-avalanche single photon detection at room temperature as has been recently demonstrated in Si quanta image sensors (QIS). In this research, uniform III-V quantum dots (QDs) and Si QIS are used as model systems to test the theory experimentally. Based on the fundamental understanding, we also propose proof-of-concept, photon-managed quantum capacitance photodetectors. Built upon the concepts of QIS and single electron transistor (SET), this novel device structure provides a model system to synergistically test the fundamental limits and tradespace predicted by the theory for semiconductor detectors. This project is sponsored under DARPA/ARO's DETECT Program: Fundamental Limits of Quantum Semiconductor Photodetectors.

Peer-Peer Interaction in a Speaking Test: The Case of the "First Certificate in English" Examination

ERIC Educational Resources Information Center

Galaczi, Evelina D.

2008-01-01

This discourse-based study turns its attention to paired test-taker discourse in the First Certificate in English speaking test. Its primary aim is to focus on fundamental conversation management concepts, such as overall structural organisation, turn-taking, sequencing, and topic organisation found in the dyadic test-taker interaction in 30 pairs…

Finite element analyses of two dimensional, anisotropic heat transfer in wood

Treesearch

John F. Hunt; Hongmei Gu

2004-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Inputting basic orthogonal properties of the wood material alone are not sufficient for accurate modeling because wood is a combination of porous fiber cells that are aligned and mis-...

Teaching under the New Taylorism: High-Stakes Testing and the Standardization of the 21st Century Curriculum

ERIC Educational Resources Information Center

Au, Wayne

2011-01-01

The application of the principles of scientific management within the structure, organization, and curriculum of public schools in the US became dominant during the early 1900s. Based upon research evidence from the modern day era of high-stakes testing in US public education, the fundamental logics guiding scientific management have resurfaced…

Biomass and carbon attributes of downed woody materials in forests of the United States

Treesearch

C.W. Woodall; B.F. Walters; S.N. Oswalt; G.M. Domke; C. Toney; A.N. Gray

2013-01-01

Due to burgeoning interest in the biomass/carbon attributes of forest downed and dead woody materials (DWMs) attributable to its fundamental role in the carbon cycle, stand structure/diversity, bioenergy resources, and fuel loadings, the U.S. Department of Agriculture has conducted a nationwide field-based inventory of DWM. Using the national DWM inventory, attributes...

Diallelic microsatellites developed for Agrostis stolonifera L. population analyses provide evidence for A. transcaspica Litv. as the source of the bentgrass A3 sub-genome

EPA Science Inventory

Little is known about the genetic connectivity between creeping bentgrass (Agrostis stolonifera L.) populations. A fundamental challenge to DNA fragment-based population structure analyses of allopolyploid species like creeping bentgrass (2n=4x=28, A2A2A3A3) is scoring individual...

Simulation of Electric Propulsion Thrusters

DTIC Science & Technology

2011-01-01

and operational lifetime. The second area of modelling activity concerns the plumes produced by electric thrusters. Detailed information on the plumes ...to reproduce the in-orbit space environment using ground-based laboratory facilities. Device modelling also plays an important role in plume ...of the numerical analysis of other aspects of thruster design, such as thermal and structural processes, is omitted here. There are two fundamental

39 Questionable Assumptions in Modern Physics

NASA Astrophysics Data System (ADS)

Volk, Greg

2009-03-01

The growing body of anomalies in new energy, low energy nuclear reactions, astrophysics, atomic physics, and entanglement, combined with the failure of the Standard Model and string theory to predict many of the most basic fundamental phenomena, all point to a need for major new paradigms. Not Band-Aids, but revolutionary new ways of conceptualizing physics, in the spirit of Thomas Kuhn's The Structure of Scientific Revolutions. This paper identifies a number of long-held, but unproven assumptions currently being challenged by an increasing number of alternative scientists. Two common themes, both with venerable histories, keep recurring in the many alternative theories being proposed: (1) Mach's Principle, and (2) toroidal, vortex particles. Matter-based Mach's Principle differs from both space-based universal frames and observer-based Einsteinian relativity. Toroidal particles, in addition to explaining electron spin and the fundamental constants, satisfy the basic requirement of Gauss's misunderstood B Law, that motion itself circulates. Though a comprehensive theory is beyond the scope of this paper, it will suggest alternatives to the long list of assumptions in context.

Monitoring of changes in cluster structures in water under AC magnetic field

NASA Astrophysics Data System (ADS)

Usanov, A. D.; Ulyanov, S. S.; Ilyukhina, N. S.; Usanov, D. A.

2016-01-01

A fundamental possibility of visualizing cluster structures formed in distilled water by an optical method based on the analysis of dynamic speckle structures is demonstrated. It is shown for the first time that, in contrast to the existing concepts, water clusters can be rather large (up to 200 -m in size), and their lifetime is several tens of seconds. These clusters are found to have an internal spatially inhomogeneous structure, constantly changing in time. The properties of magnetized and non-magnetized water are found to differ significantly. In particular, the number of clusters formed in magnetized water is several times larger than that formed in the same volume of non-magnetized water.

Quantitative Evaluation of Delamination in Composites Using Lamb Waves

NASA Astrophysics Data System (ADS)

Michalcová, L.; Hron, R.

2018-03-01

Ultrasonic guided wave monitoring has become very popular in the area of structural health monitoring (SHM) of aerospace structures. Any possible type of damage must be reliably assessed. The paper deals with delamination length determination in DCB specimens using Lamb waves. An analytical equation based on the velocity dependence on variable thickness is utilized. The group velocity of the fundamental antisymmetric A0 mode rapidly changes in a particular range of the frequency-thickness product. Using the same actuation frequency the propagation velocity is different for delaminated structure. Lamb wave based delamination lengths were compared to the visually determined lengths. The method of the wave velocity determination proved to be essential. More accurate results were achieved by tracking the maximum amplitude of A0 mode than the first signal arrival. These findings are considered as the basis for the damage evaluation of complex structures.

A self-recalibration method based on scale-invariant registration for structured light measurement systems

NASA Astrophysics Data System (ADS)

Chen, Rui; Xu, Jing; Zhang, Song; Chen, Heping; Guan, Yong; Chen, Ken

2017-01-01

The accuracy of structured light measurement depends on delicate offline calibration. However, in some practical applications, the system is supposed to be reconfigured so frequently to track the target that an online calibration is required. To this end, this paper proposes a rapid and autonomous self-recalibration method. For the proposed method, first, the rotation matrix and the normalized translation vector are attained from the fundamental matrix; second, the scale factor is acquired based on scale-invariant registration such that the actual translation vector is obtained. Experiments have been conducted to verify the effectiveness of our proposed method and the results indicate a high degree of accuracy.

Hierarchical structure of biological systems

PubMed Central

Alcocer-Cuarón, Carlos; Rivera, Ana L; Castaño, Victor M

2014-01-01

A general theory of biological systems, based on few fundamental propositions, allows a generalization of both Wierner and Berthalanffy approaches to theoretical biology. Here, a biological system is defined as a set of self-organized, differentiated elements that interact pair-wise through various networks and media, isolated from other sets by boundaries. Their relation to other systems can be described as a closed loop in a steady-state, which leads to a hierarchical structure and functioning of the biological system. Our thermodynamical approach of hierarchical character can be applied to biological systems of varying sizes through some general principles, based on the exchange of energy information and/or mass from and within the systems. PMID:24145961

Hierarchical structure of biological systems: a bioengineering approach.

PubMed

Alcocer-Cuarón, Carlos; Rivera, Ana L; Castaño, Victor M

2014-01-01

A general theory of biological systems, based on few fundamental propositions, allows a generalization of both Wierner and Berthalanffy approaches to theoretical biology. Here, a biological system is defined as a set of self-organized, differentiated elements that interact pair-wise through various networks and media, isolated from other sets by boundaries. Their relation to other systems can be described as a closed loop in a steady-state, which leads to a hierarchical structure and functioning of the biological system. Our thermodynamical approach of hierarchical character can be applied to biological systems of varying sizes through some general principles, based on the exchange of energy information and/or mass from and within the systems.

Biofilms promote altruism.

PubMed

Kreft, Jan-Ulrich

2004-08-01

The origin of altruism is a fundamental problem in evolution, and the maintenance of biodiversity is a fundamental problem in ecology. These two problems combine with the fundamental microbiological question of whether it is always advantageous for a unicellular organism to grow as fast as possible. The common basis for these three themes is a trade-off between growth rate and growth yield, which in turn is based on irreversible thermodynamics. The trade-off creates an evolutionary alternative between two strategies: high growth yield at low growth rate versus high growth rate at low growth yield. High growth yield at low growth rate is a case of an altruistic strategy because it increases the fitness of the group by using resources economically at the cost of decreased fitness, or growth rate, of the individual. The group-beneficial behaviour is advantageous in the long term, whereas the high growth rate strategy is advantageous in the short term. Coexistence of species requires differences between their niches, and niche space is typically divided into four 'axes' (time, space, resources, predators). This neglects survival strategies based on cooperation, which extend the possibilities of coexistence, arguing for the inclusion of cooperation as the fifth 'axis'. Here, individual-based model simulations show that spatial structure, as in, for example, biofilms, is necessary for the origin and maintenance of this 'primitive' altruistic strategy and that the common belief that growth rate but not yield decides the outcome of competition is based on chemostat models and experiments. This evolutionary perspective on life in biofilms can explain long-known biofilm characteristics, such as the structural organization into microcolonies, the often-observed lack of mixing among microcolonies, and the shedding of single cells, as promoting the origin and maintenance of the altruistic strategy. Whereas biofilms enrich altruists, enrichment cultures, microbiology's paradigm for isolating bacteria into pure culture, select for highest growth rate.

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

Falcón, R. M.; Núñez, J.

Based on the traditional concept of isotopism, extended isotopisms were introduced by the authors in 2006 in order to provide a fundamental basis to the isotheory of Santilli. Since that first attempt, distinct studies on extended isotopisms have focused on the construction of partial Latin squares having a Santilli autotopism in their autotopism group. In order to deal with new structures, we introduce in this paper the concept of extended pseudoisotopism. This is based on the use of onto linear transformations that are not necessarily injective. Some examples are exposed throughout the paper.

Density-matrix-based algorithm for solving eigenvalue problems

NASA Astrophysics Data System (ADS)

Polizzi, Eric

2009-03-01

A fast and stable numerical algorithm for solving the symmetric eigenvalue problem is presented. The technique deviates fundamentally from the traditional Krylov subspace iteration based techniques (Arnoldi and Lanczos algorithms) or other Davidson-Jacobi techniques and takes its inspiration from the contour integration and density-matrix representation in quantum mechanics. It will be shown that this algorithm—named FEAST—exhibits high efficiency, robustness, accuracy, and scalability on parallel architectures. Examples from electronic structure calculations of carbon nanotubes are presented, and numerical performances and capabilities are discussed.

Novel cross-linked polystyrenes with large space network as tailor-made catalyst supports for sustainable media

DOE PAGES

Marrocchi, Assunta; Adriaensens, Peter; Bartollini, Elena; ...

2015-10-09

For a novel class of polystyrene-based gel-type resins (SPACeR, SP), containing the large 1,4-bis (4-vinylphenoxy)benzene cross-linker, is introduced; SP-immobilized 1,5,7-triazabicyclo [4.4.0]dec-5-ene (TBD) and triethylamine (TEA) bases are synthesized and characterized in terms of their structural, thermal and morphological features, and their catalytic efficiency in a series of fundamental chemical transformations under solvent-free conditions is investigated.

Potassium-argon (argon-argon), structural fabrics

USGS Publications Warehouse

Cosca, Michael A.; Rink, W. Jack; Thompson, Jereon

2014-01-01

Definition: 40Ar/39Ar geochronology of structural fabrics: The application of 40Ar/39Ar methods to date development of structural fabrics in geologic samples. Introduction: Structural fabrics develop during rock deformation at variable pressures (P), temperatures (T), fluid compositions (X), and time (t). Structural fabrics are represented in rocks by features such as foliations and shear zones developed at the mm to km scale. In ideal cases, the P-T-X history of a given structural fabric can be constrained using stable isotope, cation exchange, and/or mineral equilibria thermobarometry (Essene 1989). The timing of structural fabric development can be assessed qualitatively using geologic field observations or quantitatively using isotope-based geochronology. High-precision geochronology of the thermal and fluid flow histories associated with structural fabric development can answer fundamental geologic questions including (1) when hydrothermal fluids transported and deposited ore minerals, ...

A new similarity measure for link prediction based on local structures in social networks

NASA Astrophysics Data System (ADS)

Aghabozorgi, Farshad; Khayyambashi, Mohammad Reza

2018-07-01

Link prediction is a fundamental problem in social network analysis. There exist a variety of techniques for link prediction which applies the similarity measures to estimate proximity of vertices in the network. Complex networks like social networks contain structural units named network motifs. In this study, a newly developed similarity measure is proposed where these structural units are applied as the source of similarity estimation. This similarity measure is tested through a supervised learning experiment framework, where other similarity measures are compared with this similarity measure. The classification model trained with this similarity measure outperforms others of its kind.

Comparing resonant photon tunneling via cavity modes and Tamm plasmon polariton modes in metal-coated Bragg mirrors.

PubMed

Leosson, K; Shayestehaminzadeh, S; Tryggvason, T K; Kossoy, A; Agnarsson, B; Magnus, F; Olafsson, S; Gudmundsson, J T; Magnusson, E B; Shelykh, I A

2012-10-01

Resonant photon tunneling was investigated experimentally in multilayer structures containing a high-contrast (TiO(2)/SiO(2)) Bragg mirror capped with a semitransparent gold film. Transmission via a fundamental cavity resonance was compared with transmission via the Tamm plasmon polariton resonance that appears at the interface between a metal film and a one-dimensional photonic bandgap structure. The Tamm-plasmon-mediated transmission exhibits a smaller dependence on the angle and polarization of the incident light for similar values of peak transmission, resonance wavelength, and finesse. Implications for transparent electrical contacts based on resonant tunneling structures are discussed.

Structural optimization: Status and promise

NASA Astrophysics Data System (ADS)

Kamat, Manohar P.

Chapters contained in this book include fundamental concepts of optimum design, mathematical programming methods for constrained optimization, function approximations, approximate reanalysis methods, dual mathematical programming methods for constrained optimization, a generalized optimality criteria method, and a tutorial and survey of multicriteria optimization in engineering. Also included are chapters on the compromise decision support problem and the adaptive linear programming algorithm, sensitivity analyses of discrete and distributed systems, the design sensitivity analysis of nonlinear structures, optimization by decomposition, mixed elements in shape sensitivity analysis of structures based on local criteria, and optimization of stiffened cylindrical shells subjected to destabilizing loads. Other chapters are on applications to fixed-wing aircraft and spacecraft, integrated optimum structural and control design, modeling concurrency in the design of composite structures, and tools for structural optimization. (No individual items are abstracted in this volume)

Disorders without borders: current and future directions in the meta-structure of mental disorders.

PubMed

Carragher, Natacha; Krueger, Robert F; Eaton, Nicholas R; Slade, Tim

2015-03-01

Classification is the cornerstone of clinical diagnostic practice and research. However, the extant psychiatric classification systems are not well supported by research evidence. In particular, extensive comorbidity among putatively distinct disorders flags an urgent need for fundamental changes in how we conceptualize psychopathology. Over the past decade, research has coalesced on an empirically based model that suggests many common mental disorders are structured according to two correlated latent dimensions: internalizing and externalizing. We review and discuss the development of a dimensional-spectrum model which organizes mental disorders in an empirically based manner. We also touch upon changes in the DSM-5 and put forward recommendations for future research endeavors. Our review highlights substantial empirical support for the empirically based internalizing-externalizing model of psychopathology, which provides a parsimonious means of addressing comorbidity. As future research goals, we suggest that the field would benefit from: expanding the meta-structure of psychopathology to include additional disorders, development of empirically based thresholds, inclusion of a developmental perspective, and intertwining genomic and neuroscience dimensions with the empirical structure of psychopathology.

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

Zhou, Yan; Dyck, Jeffrey; Graham, Todd

Oil-soluble phosphonium-based ionic liquids (ILs) have recently been reported as potential ashless lubricant additives. This study is to expand the IL chemistry envelope and to achieve fundamental correlations between the ion structures and ILs’ physiochemical and tribological properties. Here we present eight ILs containing two different phosphonium cations and seven different anions from three groups: organophosphate, carboxylate, and sulfonate. The oil solubility of ILs seems largely governed by the IL molecule size and structure complexity. When used as oil additives, the ranking of effectiveness in wear protection for the anions are: organophosphate > carboxylate > sulfonate. All selected ILs outperformedmore » a commercial ashless anti-wear additive. Surface characterization from the top and the cross-section revealed the nanostructures and compositions of the tribo-films formed by the ILs. Some fundamental insights were achieved: branched and long alkyls improve the IL’s oil solubility, anions of a phosphonium-phosphate IL contribute most phosphorus in the tribofilm, and carboxylate anions, though free of P, S, N, or halogen, can promote the formation of an anti-wear tribofilm.« less

Development of an ultra-safe rechargeable lithium-ion battery

NASA Astrophysics Data System (ADS)

Jacobs, J. K.

1994-11-01

The project activities had an official start on August 15. Based on previous work, a statement of the basic design framework to be used was an important first step. The basic cell is to be a bonded flat-pack containing all active cell components in a sealed envelope. Cell integrity is to be provided by internal bonding, and not through external support. This design approach is fundamentally different from that commonly used in wound and hard-case cells, and has the advantage of ease of scaling for a variety of different form factors. An innovative variant on the fan-fold geometry has been chosen for its manufacturability advantages. Equipment capable of handling the semi-continuous requirements of the fan-fold structure had already been outlined. There are specific advantages in at least three areas: (1) Control of dimensional tolerances; (2) Production rate; (3) Connection of power lead-outs and final assembly. Cell chemistry is viewed to be of less fundamental importance than structural considerations within the bounds of the lithium-ion concept.

Molecular electronics: some views on transport junctions and beyond.

PubMed

Joachim, Christian; Ratner, Mark A

2005-06-21

The field of molecular electronics comprises a fundamental set of issues concerning the electronic response of molecules as parts of a mesoscopic structure and a technology-facing area of science. We will overview some important aspects of these subfields. The most advanced ideas in the field involve the use of molecules as individual logic or memory units and are broadly based on using the quantum state space of the molecule. Current work in molecular electronics usually addresses molecular junction transport, where the molecule acts as a barrier for incoming electrons: This is the fundamental Landauer idea of "conduction as scattering" generalized to molecular junction structures. Another point of view in terms of superexchange as a guiding mechanism for coherent electron transfer through the molecular bridge is discussed. Molecules generally exhibit relatively strong vibronic coupling. The last section of this overview focuses on vibronic effects, including inelastic electron tunneling spectroscopy, hysteresis in junction charge transport, and negative differential resistance in molecular transport junctions.

Molecular electronics: Some views on transport junctions and beyond

PubMed Central

Joachim, Christian; Ratner, Mark A.

2005-01-01

The field of molecular electronics comprises a fundamental set of issues concerning the electronic response of molecules as parts of a mesoscopic structure and a technology-facing area of science. We will overview some important aspects of these subfields. The most advanced ideas in the field involve the use of molecules as individual logic or memory units and are broadly based on using the quantum state space of the molecule. Current work in molecular electronics usually addresses molecular junction transport, where the molecule acts as a barrier for incoming electrons: This is the fundamental Landauer idea of “conduction as scattering” generalized to molecular junction structures. Another point of view in terms of superexchange as a guiding mechanism for coherent electron transfer through the molecular bridge is discussed. Molecules generally exhibit relatively strong vibronic coupling. The last section of this overview focuses on vibronic effects, including inelastic electron tunneling spectroscopy, hysteresis in junction charge transport, and negative differential resistance in molecular transport junctions. PMID:15956192

Quantification of Soil Pore Structure Based on Minkowski-Functions

NASA Astrophysics Data System (ADS)

Vogel, H.; Weller, U.; Schlüter, S.

2009-05-01

The porous structure in soils and other geologic media is typically a complex 3-dimensional object. Most of the physical material properties including mechanical and hydraulic characteristics are immediately linked to this structure which can be directly observed using non-invasive techniques as e.g. X-ray tomography. It is an old dream and still a formidable challenge to related structural features of porous media to their physical properties. In this contribution we present a scale-invariant concept to quantify pore structure based on a limited set of meaningful morphological functions. They are based on d+1 Minkowski functionals as defined for d-dimensional bodies. These basic quantities are determined as a function of pore size obtained by filter procedures using mathematical morphology. The resulting Minkowski functions provide valuable information on pore size, pore surface area and pore topology having the potential to be linked to physical properties. The theoretical background and the related algorithms are presented and the approach is demonstrated for the structure of an arable topsoil obtained by X-ray micro tomography. We also discuss the fundamental problem of limited resolution which is critical for any attempt to quantify structural features at any scale.

Acoustic Emission of Large PRSEUS Structures (Pultruded Rod Stitched Efficient Unitized Structure)

NASA Technical Reports Server (NTRS)

Horne, Michael R.; Juarez, Peter D.

2016-01-01

In the role of structural health monitoring (SHM), Acoustic Emission (AE) analysis is being investigated as an effective method for tracking damage development in large composite structures under load. Structures made using Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) for damage tolerant, light, and economical airframe construction are being pursued by The Boeing Company and NASA under the Environmentally Responsible Aircraft initiative (ERA). The failure tests of two PRSEUS substructures based on the Boeing Hybrid Wing Body fuselage concept were conducted during third quarter 2011 and second quarter 2015. One fundamental concern of these tests was determining the effectiveness of the stitched integral stiffeners to inhibit damage progression. By design, severe degradation of load carrying capability should not occur prior to Design Ultimate Load (DUL). While minor damage prior to DUL was anticipated, the integral stitching should not fail since this would allow a stiffener-skin delamination to progress rapidly and alter the transfer of load into the stiffeners. In addition, the stiffeners should not fracture because they are fundamental to structural integrity. Getting the best information from each AE sensor is a primary consideration because a sparse network of sensors is implemented. Sensitivity to stiffener-contiguous degradation is supported by sensors near the stiffeners, which increases the coverage per sensor via AE waveguide actions. Some sensors are located near potentially critical areas or "critical zones" as identified by numerical analyses. The approach is compared with the damage progression monitored by other techniques (e.g. ultrasonic C-scan).

Beyond Low-Rank Representations: Orthogonal clustering basis reconstruction with optimized graph structure for multi-view spectral clustering.

PubMed

Wang, Yang; Wu, Lin

2018-07-01

Low-Rank Representation (LRR) is arguably one of the most powerful paradigms for Multi-view spectral clustering, which elegantly encodes the multi-view local graph/manifold structures into an intrinsic low-rank self-expressive data similarity embedded in high-dimensional space, to yield a better graph partition than their single-view counterparts. In this paper we revisit it with a fundamentally different perspective by discovering LRR as essentially a latent clustered orthogonal projection based representation winged with an optimized local graph structure for spectral clustering; each column of the representation is fundamentally a cluster basis orthogonal to others to indicate its members, which intuitively projects the view-specific feature representation to be the one spanned by all orthogonal basis to characterize the cluster structures. Upon this finding, we propose our technique with the following: (1) We decompose LRR into latent clustered orthogonal representation via low-rank matrix factorization, to encode the more flexible cluster structures than LRR over primal data objects; (2) We convert the problem of LRR into that of simultaneously learning orthogonal clustered representation and optimized local graph structure for each view; (3) The learned orthogonal clustered representations and local graph structures enjoy the same magnitude for multi-view, so that the ideal multi-view consensus can be readily achieved. The experiments over multi-view datasets validate its superiority, especially over recent state-of-the-art LRR models. Copyright © 2018 Elsevier Ltd. All rights reserved.

Non-amine-based dopamine transporter (reuptake) inhibitors retain properties of amine-based progenitors.

PubMed

Madras, Bertha K; Fahey, Michele A; Miller, Gregory M; De La Garza, Richard; Goulet, Martin; Spealman, Roger D; Meltzer, Peter C; George, Susan R; O'Dowd, Brian F; Bonab, Ali A; Livni, Eli; Fischman, Alan J

2003-10-31

Without exception, therapeutic and addictive drugs that produce their primary effects by blocking monoamine transporters in brain contain an amine nitrogen in their structure. This fundamental canon of drug design was based on a prevailing premise that an amine nitrogen is required to mimic the structures of monoamine neurotransmitters and other natural products. Non-amines, a novel class of compounds that contain no amine nitrogen, block monoamine transporters in the nM range and display markedly high selectivity for monoamine transporters, but not for receptors. Non-amines retain the spectrum of biochemical and pharmacological properties characteristic of amine-bearing counterparts. These novel drugs compel a revision of current concepts of drug-monoamine transporter complex formation and open avenues for discovery of a new generation of therapeutic drugs.

75 FR 71317 - Fundamental Principles and Policymaking Criteria for Partnerships With Faith-Based and Other...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-22

... Part IV The President Executive Order 13559--Fundamental Principles and Policymaking Criteria for... Fundamental Principles and Policymaking Criteria for Partnerships With Faith-Based and Other Neighborhood... the following: ``Sec. 2. Fundamental Principles. In formulating and implementing policies that have...

A binary-decision-diagram-based two-bit arithmetic logic unit on a GaAs-based regular nanowire network with hexagonal topology.

PubMed

Zhao, Hong-Quan; Kasai, Seiya; Shiratori, Yuta; Hashizume, Tamotsu

2009-06-17

A two-bit arithmetic logic unit (ALU) was successfully fabricated on a GaAs-based regular nanowire network with hexagonal topology. This fundamental building block of central processing units can be implemented on a regular nanowire network structure with simple circuit architecture based on graphical representation of logic functions using a binary decision diagram and topology control of the graph. The four-instruction ALU was designed by integrating subgraphs representing each instruction, and the circuitry was implemented by transferring the logical graph structure to a GaAs-based nanowire network formed by electron beam lithography and wet chemical etching. A path switching function was implemented in nodes by Schottky wrap gate control of nanowires. The fabricated circuit integrating 32 node devices exhibits the correct output waveforms at room temperature allowing for threshold voltage variation.

Origin of and tuning the optical and fundamental band gaps in transparent conducting oxides: The case of M2O3(M =Al ,Ga ,In )

NASA Astrophysics Data System (ADS)

Sabino, Fernando P.; Besse, Rafael; Oliveira, Luiz Nunes; Wei, Su-Huai; Da Silva, Juarez L. F.

2015-11-01

Good transparent conducting oxides (TCOs), such as In2O3 :Sn (ITO), usually combine large optical band gaps, essential for high transparency, with relatively small fundamental band gaps due to low conduction-band minima, which favor n -type doping and enhance the electrical conductivity. It has been understood that the optical band gaps are wider than the fundamental band gaps because optical transitions between the band-edge states are forbidden. The mechanism blocking such transitions, which can play a crucial role in the designing of alternative TCOs, nonetheless remains obscure. Here, based on first-principles density functional theory calculations and symmetry analysis of three oxides, M2O3 (M =Al ,Ga ,In ), we identify the physical origin of the gap disparities. Three conditions are necessary: (1) the crystal structure must have global inversion symmetry; (2) in order to belong to the Ag or A1 g irreducible representations, the states at the conduction-band minimum must have cation and oxygen s character; (3) in order to have g parity, the oxygen p orbitals constituting the states near the valence-band maximum must be strongly coupled to the cation d orbitals. Under these conditions, optical excitations across the fundamental gap will be forbidden. The three criteria explain the trends in the M2O3 (M =Al,Ga,In) sequence, in particular, explaining why In2O3 in the bixbyite structure yields the highest figure of merit. Our study provides guidelines expected to be instrumental in the search for new TCO materials.

Functional Hybrid Biomaterials based on Peptide-Polymer Conjugates for Nanomedicine

NASA Astrophysics Data System (ADS)

Shu, Jessica Yo

The focus of this dissertation is the design, synthesis and characterization of hybrid functional biomaterials based on peptide-polymer conjugates for nanomedicine. Generating synthetic materials with properties comparable to or superior than those found in nature has been a "holy grail" for the materials community. Man-made materials are still rather simplistic when compared to the chemical and structural complexity of a cell. Peptide-polymer conjugates have the potential to combine the advantages of the biological and synthetic worlds---that is they can combine the precise chemical structure and diverse functionality of biomolecules with the stability and processibility of synthetic polymers. As a new family of soft matter, they may lead to materials with novel properties that have yet to be realized with either of the components alone. In order for peptide-polymer conjugates to reach their full potential as useful materials, the structure and function of the peptide should be maintained upon polymer conjugation. The success in achieving desirable, functional assemblies relies on fundamentally understanding the interactions between each building block and delicately balancing and manipulating these interactions to achieve targeted assemblies without interfering with designed structures and functionalities. Such fundamental studies of peptide-polymer interactions were investigated as the nature of the polymer (hydrophilic vs. hydrophobic) and the site of its conjugation (end-conjugation vs. side-conjugation) were varied. The fundamental knowledge gained was then applied to the design of amphiphiles that self-assemble to form stable functional micelles. The micelles exhibited exceptional monodispersity and long-term stability, which is atypical of self-assembled systems. Thus such micelles based on amphiphilic peptide-polymer conjugates may meet many current demands in nanomedicine, in particular for drug delivery of hydrophobic anti-cancer therapeutics. Lastly, biological evaluations were performed to investigate the potential of micelles as drug delivery vehicles. In vitro cell studies demonstrated that the micelles can be used as a delivery vehicle to tailor the cellular uptake, time release, and intracellular trafficking of drugs. In vivo biodistribution and pharmacokinetic experiments showed long blood circulation. This work demonstrates that peptide-polymer conjugates can be used as building blocks to generate hierarchical functional nanostructures with a wide range of applications, only one of which is drug delivery.

Structure to function: Spider silk and human collagen

NASA Astrophysics Data System (ADS)

Rabotyagova, Olena S.

Nature has the ability to assemble a variety of simple molecules into complex functional structures with diverse properties. Collagens, silks and muscles fibers are some examples of fibrous proteins with self-assembling properties. One of the great challenges facing Science is to mimic these designs in Nature to find a way to construct molecules that are capable of organizing into functional supra-structures by self-assembly. In order to do so, a construction kit consisting of molecular building blocks along with a complete understanding on how to form functional materials is required. In this current research, the focus is on spider silk and collagen as fibrous protein-based biopolymers that can shed light on how to generate nanostructures through the complex process of self-assembly. Spider silk in fiber form offers a unique combination of high elasticity, toughness, and mechanical strength, along with biological compatibility and biodegrability. Spider silk is an example of a natural block copolymer, in which hydrophobic and hydrophilic blocks are linked together generating polymers that organize into functional materials with extraordinary properties. Since silks resemble synthetic block copolymer systems, we adopted the principles of block copolymer design from the synthetic polymer literature to build block copolymers based on spider silk sequences. Moreover, we consider spider silk to be an important model with which to study the relationships between structure and properties in our system. Thus, the first part of this work was dedicated to a novel family of spider silk block copolymers, where we generated a new family of functional spider silk-like block copolymers through recombinant DNA technology. To provide fundamental insight into relationships between peptide primary sequence, block composition, and block length and observed morphological and structural features, we used these bioengineered spider silk block copolymers to study secondary structure, morphological features and assembly. Aside from fundamental perspectives, we anticipate that these results will provide a blueprint for the design of precise materials for a range of potential applications such as controlled release devices, functional coatings, components of tissue regeneration materials and environmentally friendly polymers in future studies. In the second part of this work, human collagen type I was studied as another representative of the family of fibrous proteins. Collagen type I is the most abundant extracellular matrix protein in the human body, providing the basis for tissue structure and directing cellular functions. Collagen has a complex structural hierarchy, organized at different length scales, including the characteristic triple helical feature. In the present study we assessed the relationship between collagen structure (native vs. denatured) and sensitivity to UV radiation with a focus on changes in the primary structure, conformation, microstructure and material properties. Free radical reactions are involved in collagen degradation and a mechanism for UV-induced collagen degradation related to structure was proposed. The results from this study demonstrated the role of collagen supramolecular organization (triple helix) in the context of the effects of electromagnetic radiation on extracellular matrices. Owing to the fact that both silks and collagens are proteins that have found widespread interest for biomaterial related needs, we anticipate that the current studies will serve as a foundation for future biomaterial designs with controlled properties. Furthermore, fundamental insight into self-assembly and environmentally-2mediated degradation, will build a foundation for fundamental understanding of the remodeling and functions of these types of fibrous proteins in vivo and in vitro. This type of insight is essential for many areas of scientific inquiry, from drug delivery, to scaffolds for tissue engineering, and to the stability of materials in space.

Cations Form Sequence Selective Motifs within DNA Grooves via a Combination of Cation-Pi and Ion-Dipole/Hydrogen Bond Interactions

PubMed Central

Stewart, Mikaela; Dunlap, Tori; Dourlain, Elizabeth; Grant, Bryce; McFail-Isom, Lori

2013-01-01

The fine conformational subtleties of DNA structure modulate many fundamental cellular processes including gene activation/repression, cellular division, and DNA repair. Most of these cellular processes rely on the conformational heterogeneity of specific DNA sequences. Factors including those structural characteristics inherent in the particular base sequence as well as those induced through interaction with solvent components combine to produce fine DNA structural variation including helical flexibility and conformation. Cation-pi interactions between solvent cations or their first hydration shell waters and the faces of DNA bases form sequence selectively and contribute to DNA structural heterogeneity. In this paper, we detect and characterize the binding patterns found in cation-pi interactions between solvent cations and DNA bases in a set of high resolution x-ray crystal structures. Specifically, we found that monovalent cations (Tl+) and the polarized first hydration shell waters of divalent cations (Mg2+, Ca2+) form cation-pi interactions with DNA bases stabilizing unstacked conformations. When these cation-pi interactions are combined with electrostatic interactions a pattern of specific binding motifs is formed within the grooves. PMID:23940752

Cations form sequence selective motifs within DNA grooves via a combination of cation-pi and ion-dipole/hydrogen bond interactions.

PubMed

Stewart, Mikaela; Dunlap, Tori; Dourlain, Elizabeth; Grant, Bryce; McFail-Isom, Lori

2013-01-01

The fine conformational subtleties of DNA structure modulate many fundamental cellular processes including gene activation/repression, cellular division, and DNA repair. Most of these cellular processes rely on the conformational heterogeneity of specific DNA sequences. Factors including those structural characteristics inherent in the particular base sequence as well as those induced through interaction with solvent components combine to produce fine DNA structural variation including helical flexibility and conformation. Cation-pi interactions between solvent cations or their first hydration shell waters and the faces of DNA bases form sequence selectively and contribute to DNA structural heterogeneity. In this paper, we detect and characterize the binding patterns found in cation-pi interactions between solvent cations and DNA bases in a set of high resolution x-ray crystal structures. Specifically, we found that monovalent cations (Tl⁺) and the polarized first hydration shell waters of divalent cations (Mg²⁺, Ca²⁺) form cation-pi interactions with DNA bases stabilizing unstacked conformations. When these cation-pi interactions are combined with electrostatic interactions a pattern of specific binding motifs is formed within the grooves.

Gyrodampers for large space structures

NASA Technical Reports Server (NTRS)

Aubrun, J. N.; Margulies, G.

1979-01-01

The problem of controlling the vibrations of a large space structures by the use of actively augmented damping devices distributed throughout the structure is addressed. The gyrodamper which consists of a set of single gimbal control moment gyros which are actively controlled to extract the structural vibratory energy through the local rotational deformations of the structure, is described and analyzed. Various linear and nonlinear dynamic simulations of gyrodamped beams are shown, including results on self-induced vibrations due to sensor noise and rotor imbalance. The complete nonlinear dynamic equations are included. The problem of designing and sizing a system of gyrodampers for a given structure, or extrapolating results for one gyrodamped structure to another is solved in terms of scaling laws. Novel scaling laws for gyro systems are derived, based upon fundamental physical principles, and various examples are given.

Comparisons between field- and LiDAR-based measures of stand structrual complexity

Treesearch

Van R. Kane; Robert J. McGaughey; Jonathan D. Bakker; Rolf F. Gersonde; James A. Lutz; Jerry F. Franklin

2010-01-01

Forest structure, as measured by the physical arrangement of trees and their crowns, is a fundamental attribute of forest ecosystems that changes as forests progress through successional stages. We examined whether LiDAR data could be used to directly assess the successional stage of forests by determining the degree to which the LiDAR data would show the same relative...

Raman imaging of lignin and cellulose distribution in black spruce wood (Picea mariana) cell walls

Treesearch

Umesh P. Agarwal

2005-01-01

A detailed understanding of wood cell wall structure and organization is important from both fundamental and practical point of views. A state-of- the-art 633-nm laser based confocal Raman microscope was used in situ to investigate the cell wall organization of black spruce wood. Chemical information on lignin and cellulose from morphologically distinct cell wall...

Two-dimensional finite element heat transfer model of softwood. Part III, Effect of moisture content on thermal conductivity

Treesearch

Hongmei Gu; John F. Hunt

2007-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models for softwood use average thermal properties across either the radial or tangential direction and do not differentiate the effects of cellular alignment or...

A Corpus-Based Study on the Use of Three-Word Lexical Bundles in the Academic Writing by Native English and Turkish Non-Native Writers

ERIC Educational Resources Information Center

Ucar, Serpil

2017-01-01

The utilization of English recurrent word combinations--lexical bundles--play a fundamental role in academic prose (Karabacak & Qin, 2013). There has been highly limited research about comparing Turkish non-native and native English writers' use of lexical bundles in academic prose in terms of frequency, structure and functions of lexical…

Neuroanatomy of cranial computed tomography

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

Kretschmann, H.J.; Weinrich, W.

1985-01-01

Based on the fundamental structures visualized by means of computed tomography, the authors present the functional systems which are relevant in neurology by means of axial cross-sections. All drawings were prepared from original preparations by means of a new technique which is similar to the grey values of X-ray CT and nuclear magnetic resonance tomography. A detailed description is given of the topics of neurofunctional lesions.

FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem

NASA Astrophysics Data System (ADS)

Levin, Alan R.; Zhang, Deyin; Polizzi, Eric

2012-11-01

In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the “black-box” solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

Cartilage.

ERIC Educational Resources Information Center

Caplan, Arnold I.

1984-01-01

Cartilage is a fundamental biological material that helps to shape the body and then helps to support it. Its fundamental properties of strength and resilience are explained in terms of the tissue's molecular structure. (JN)

100-mW high-power three-section tunable distributed Bragg reflector laser diodes with a real refractive-index-guided self-aligned structure

NASA Astrophysics Data System (ADS)

Takayama, Toru; Mochida, Atsunori; Orita, Kenji; Tamura, Satoshi; Ohnishi, Toshikazu; Yuri, Masaaki; Shimizu, Hirokazu

2002-05-01

High-power (>100mW) 820 nm-band distributed Bragg reflector (DBR) laser diodes (LDs) with stable fundamental transverse mode operation and continuous wavelength tuning characteristics have been developed. To obtain high-power LDs with a stable fundamental transverse mode in 820 nm wavelength range, an AlGaAs narrow stripe (2.0 micrometers ) real refractive-index-guided self-aligned (RISA) structure is utilized. In the RISA structure, the index step between inside and outside the stripe region ((Delta) n) can be precisely controlled in the order of 10-3). To maintain a stable fundamental transverse mode up to an output power over 100 mW, (Delta) n is designed to be 4x10-3. Higher-order transverse modes are effectively suppressed by a narrow stripe geometry. Further, to achieve continuous wavelength tuning capability, the three-section LD structure, which consists of the active (700micrometers ), phase control (300micrometers ), and DBR(500micrometers ) sections, is incorporated. Our DBR LDs show a maximum output power over 200mW with a stable fundamental transverse mode, and wavelength tuning characteristics ((Delta) (lambda) ~2nm) under 100 mW CW operation.

ELECTRONIC STRUCTURE AND LINEAR OPTICAL PROPERTIES OF MIXED ALKALI-METAL BOROPHOSPHATES (LiK2BP2O8, Li3K2BP4O14): A FIRST-PRINCIPLES STUDY

NASA Astrophysics Data System (ADS)

Zhang, Bei; Jing, Qun; Yang, Zhihua; Wang, Ying; Su, Xin; Pan, Shilie; Zhang, Jun

2013-07-01

LiK2BP2O8 and Li3K2BP4O14 are synthesized by high-temperature solution method with the same elements, while contain different fundamental building units. Li3K2BP4O14 is a novel P-O-P linking structure which gives a rare example of violation of Pauling's fourth rule. The electronic structures of LiK2BP2O8 and Li3K2BP4O14 are investigated by density functional calculations. Direct gaps of 5.038 eV (LiK2BP2O8) and 5.487 eV (Li3K2BP4O14) are obtained. By analyzing the density of states (DOS) of LiK2BP2O8 and Li3K2BP4O14, the P-O-P linking in fundamental building units of Li3K2BP4O14 crystal is proved theoretically. Based on the electronic properties, the linear optical information is captured.

Free vibration of functionally graded carbon-nanotube-reinforced composite plates with cutout

PubMed Central

Mirzaei, Mostafa

2016-01-01

Summary During the past five years, it has been shown that carbon nanotubes act as an exceptional reinforcement for composites. For this reason, a large number of investigations have been devoted to analysis of fundamental, structural behavior of solid structures made of carbon-nanotube-reinforced composites (CNTRC). The present research, as an extension of the available works on the vibration analysis of CNTRC structures, examines the free vibration characteristics of plates containing a cutout that are reinforced with uniform or nonuniform distribution of carbon nanotubes. The first-order shear deformation plate theory is used to estimate the kinematics of the plate. The solution method is based on the Ritz method with Chebyshev basis polynomials. Such a solution method is suitable for arbitrary in-plane and out-of-plane boundary conditions of the plate. It is shown that through a functionally graded distribution of carbon nanotubes across the thickness of the plate, the fundamental frequency of a rectangular plate with or without a cutout may be enhanced. Furthermore, the frequencies are highly dependent on the volume fraction of carbon nanotubes and may be increased upon using more carbon nanotubes as reinforcement. PMID:27335742

Structurally colored films with superhydrophobicity and wide viewing angles based on bumpy melanin-like particles

NASA Astrophysics Data System (ADS)

Yi, Bo; Shen, Huifang

2018-01-01

Non-iridescent structural colors and lotus effect universally existing in the nature provide a great inspiration for artificially developing angle-independent and high hydrophobic structurally colored films. To this end, a facile strategy is put forward for achieving superhydrophobic structurally colored films with wide viewing angles and high visibility based on bumpy melanin-like polydopamine-coated polystyrene particles. Here, hierarchical and amorphous structures are assembled in a self-driven manner due to particles' protrusive surfaces. The superhydrophobicity of the structurally colored films, with water contact angle up to 151°, is realized by combining the hierarchical surface roughness with a dip-coating process of polydimethylsiloxane-hexane solution, while angle-independence revealed in the films is ascribed to amorphous arrays. In addition, benefited from an essential light-absorbing property and high refractive index of polydopamine, the visibility of as-prepared colored films is fundamentally enhanced. Moreover, the mechanical robustness of the films is considerably boosted by inletting 3-aminopropyltriethoxysilane. This fabrication strategy might provide an opportunity for promoting the open-air application of structurally colored coatings.

Conformational energy calculations on polypeptides and proteins: use of a statistical mechanical procedure for evaluating structure and properties.

PubMed

Scheraga, H A; Paine, G H

1986-01-01

We are using a variety of theoretical and computational techniques to study protein structure, protein folding, and higher-order structures. Our earlier work involved treatments of liquid water and aqueous solutions of nonpolar and polar solutes, computations of the stabilities of the fundamental structures of proteins and their packing arrangements, conformations of small cyclic and open-chain peptides, structures of fibrous proteins (collagen), structures of homologous globular proteins, introduction of special procedures as constraints during energy minimization of globular proteins, and structures of enzyme-substrate complexes. Recently, we presented a new methodology for predicting polypeptide structure (described here); the method is based on the calculation of the probable and average conformation of a polypeptide chain by the application of equilibrium statistical mechanics in conjunction with an adaptive, importance sampling Monte Carlo algorithm. As a test, it was applied to Met-enkephalin.

Classification of proteins: available structural space for molecular modeling.

PubMed

Andreeva, Antonina

2012-01-01

The wealth of available protein structural data provides unprecedented opportunity to study and better understand the underlying principles of protein folding and protein structure evolution. A key to achieving this lies in the ability to analyse these data and to organize them in a coherent classification scheme. Over the past years several protein classifications have been developed that aim to group proteins based on their structural relationships. Some of these classification schemes explore the concept of structural neighbourhood (structural continuum), whereas other utilize the notion of protein evolution and thus provide a discrete rather than continuum view of protein structure space. This chapter presents a strategy for classification of proteins with known three-dimensional structure. Steps in the classification process along with basic definitions are introduced. Examples illustrating some fundamental concepts of protein folding and evolution with a special focus on the exceptions to them are presented.

Fundamental physical theories: Mathematical structures grounded on a primitive ontology

NASA Astrophysics Data System (ADS)

Allori, Valia

In my dissertation I analyze the structure of fundamental physical theories. I start with an analysis of what an adequate primitive ontology is, discussing the measurement problem in quantum mechanics and theirs solutions. It is commonly said that these theories have little in common. I argue instead that the moral of the measurement problem is that the wave function cannot represent physical objects and a common structure between these solutions can be recognized: each of them is about a clear three-dimensional primitive ontology that evolves according to a law determined by the wave function. The primitive ontology is what matter is made of while the wave function tells the matter how to move. One might think that what is important in the notion of primitive ontology is their three-dimensionality. If so, in a theory like classical electrodynamics electromagnetic fields would be part of the primitive ontology. I argue that, reflecting on what the purpose of a fundamental physical theory is, namely to explain the behavior of objects in three-dimensional space, one can recognize that a fundamental physical theory has a particular architecture. If so, electromagnetic fields play a different role in the theory than the particles and therefore should be considered, like the wave function, as part of the law. Therefore, we can characterize the general structure of a fundamental physical theory as a mathematical structure grounded on a primitive ontology. I explore this idea to better understand theories like classical mechanics and relativity, emphasizing that primitive ontology is crucial in the process of building new theories, being fundamental in identifying the symmetries. Finally, I analyze what it means to explain the word around us in terms of the notion of primitive ontology in the case of regularities of statistical character. Here is where the notion of typicality comes into play: we have explained a phenomenon if the typical histories of the primitive ontology give rise to the statistical regularities we observe.

Load Diffusion in Composite and Smart Structures

NASA Technical Reports Server (NTRS)

Horgan, C. O.

2003-01-01

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for the multi-functional large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Some specific problems recently considered were those of end effects in smart materials and structures, study of the stress response of pressurized linear piezoelectric cylinders for both static and steady rotating configurations, an analysis of the effect of pre-stressing and pre-polarization on the decay of end effects in piezoelectric solids and investigation of constitutive models for hardening rubber-like materials. Our goal in the study of load diffusion is the development of readily applicable results for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The analysis is also amenable to parameter study with a large parameter space and should be useful in structural tailoring studies. Special purpose analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and in assessing results from general purpose finite element analyses. For example, a rational basis is needed in choosing where to use three-dimensional to two-dimensional transition finite elements in analyzing stiffened plates and shells. The decay behavior of stresses and other field quantities furnished by this research provides a significant aid towards this element transition issue. A priori knowledge of the extent of boundary-layers induced by edge effects is also useful in determination of the instrumentation location in structural verification tests or in material characterization tests.

A Matrix-Free Algorithm for Multidisciplinary Design Optimization

NASA Astrophysics Data System (ADS)

Lambe, Andrew Borean

Multidisciplinary design optimization (MDO) is an approach to engineering design that exploits the coupling between components or knowledge disciplines in a complex system to improve the final product. In aircraft design, MDO methods can be used to simultaneously design the outer shape of the aircraft and the internal structure, taking into account the complex interaction between the aerodynamic forces and the structural flexibility. Efficient strategies are needed to solve such design optimization problems and guarantee convergence to an optimal design. This work begins with a comprehensive review of MDO problem formulations and solution algorithms. First, a fundamental MDO problem formulation is defined from which other formulations may be obtained through simple transformations. Using these fundamental problem formulations, decomposition methods from the literature are reviewed and classified. All MDO methods are presented in a unified mathematical notation to facilitate greater understanding. In addition, a novel set of diagrams, called extended design structure matrices, are used to simultaneously visualize both data communication and process flow between the many software components of each method. For aerostructural design optimization, modern decomposition-based MDO methods cannot efficiently handle the tight coupling between the aerodynamic and structural states. This fact motivates the exploration of methods that can reduce the computational cost. A particular structure in the direct and adjoint methods for gradient computation motivates the idea of a matrix-free optimization method. A simple matrix-free optimizer is developed based on the augmented Lagrangian algorithm. This new matrix-free optimizer is tested on two structural optimization problems and one aerostructural optimization problem. The results indicate that the matrix-free optimizer is able to efficiently solve structural and multidisciplinary design problems with thousands of variables and constraints. On the aerostructural test problem formulated with thousands of constraints, the matrix-free optimizer is estimated to reduce the total computational time by up to 90% compared to conventional optimizers.

A Matrix-Free Algorithm for Multidisciplinary Design Optimization

NASA Astrophysics Data System (ADS)

Lambe, Andrew Borean

Multidisciplinary design optimization (MDO) is an approach to engineering design that exploits the coupling between components or knowledge disciplines in a complex system to improve the final product. In aircraft design, MDO methods can be used to simultaneously design the outer shape of the aircraft and the internal structure, taking into account the complex interaction between the aerodynamic forces and the structural flexibility. Efficient strategies are needed to solve such design optimization problems and guarantee convergence to an optimal design. This work begins with a comprehensive review of MDO problem formulations and solution algorithms. First, a fundamental MDO problem formulation is defined from which other formulations may be obtained through simple transformations. Using these fundamental problem formulations, decomposition methods from the literature are reviewed and classified. All MDO methods are presented in a unified mathematical notation to facilitate greater understanding. In addition, a novel set of diagrams, called extended design structure matrices, are used to simultaneously visualize both data communication and process flow between the many software components of each method. For aerostructural design optimization, modern decomposition-based MDO methods cannot efficiently handle the tight coupling between the aerodynamic and structural states. This fact motivates the exploration of methods that can reduce the computational cost. A particular structure in the direct and adjoint methods for gradient computation. motivates the idea of a matrix-free optimization method. A simple matrix-free optimizer is developed based on the augmented Lagrangian algorithm. This new matrix-free optimizer is tested on two structural optimization problems and one aerostructural optimization problem. The results indicate that the matrix-free optimizer is able to efficiently solve structural and multidisciplinary design problems with thousands of variables and constraints. On the aerostructural test problem formulated with thousands of constraints, the matrix-free optimizer is estimated to reduce the total computational time by up to 90% compared to conventional optimizers.

Fundamental gaps with approximate density functionals: The derivative discontinuity revealed from ensemble considerations

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

Kraisler, Eli; Kronik, Leeor

2014-05-14

The fundamental gap is a central quantity in the electronic structure of matter. Unfortunately, the fundamental gap is not generally equal to the Kohn-Sham gap of density functional theory (DFT), even in principle. The two gaps differ precisely by the derivative discontinuity, namely, an abrupt change in slope of the exchange-correlation energy as a function of electron number, expected across an integer-electron point. Popular approximate functionals are thought to be devoid of a derivative discontinuity, strongly compromising their performance for prediction of spectroscopic properties. Here we show that, in fact, all exchange-correlation functionals possess a derivative discontinuity, which arises naturallymore » from the application of ensemble considerations within DFT, without any empiricism. This derivative discontinuity can be expressed in closed form using only quantities obtained in the course of a standard DFT calculation of the neutral system. For small, finite systems, addition of this derivative discontinuity indeed results in a greatly improved prediction for the fundamental gap, even when based on the most simple approximate exchange-correlation density functional – the local density approximation (LDA). For solids, the same scheme is exact in principle, but when applied to LDA it results in a vanishing derivative discontinuity correction. This failure is shown to be directly related to the failure of LDA in predicting fundamental gaps from total energy differences in extended systems.« less

Effects of Traditional Gender Role Norms and Religious Fundamentalism on Self-Identified Heterosexual Men's Attitudes, Anger, and Aggression Toward Gay Men and Lesbians

PubMed Central

Vincent, Wilson; Parrott, Dominic J.; Peterson, John L.

2011-01-01

Sexual prejudice and antigay anger were examined as mediators of the associations between traditional male gender norms, religious fundamentalism, and aggression toward gay men and lesbians. Participants were 201 self-identified heterosexual men recruited from the community to complete computer-administered measures of adherence to traditional male gender norms (i.e., status, toughness, antifemininity), religious fundamentalism, sexual prejudice, and frequency of aggression toward gay men and lesbians. Additionally, participants completed a structured interview designed to assess anger in response to a vignette depicting a male-male intimate relationship (i.e., partners saying “I love you,” holding hands, kissing). Results showed that sexual prejudice and antigay anger partially mediated the effect of antifemininity on aggression and fully mediated the effect of religious fundamentalism on aggression. Sexual prejudice alone fully mediated the effect of status on aggression and neither sexual prejudice nor antigay anger mediated the effect of toughness on aggression. Further, results suggested that religious fundamentalism is a multifaceted construct of which some aspects increase risk for aggression toward gay men and lesbians, whereas other aspects decrease this risk. These data provide multivariate evidence from a nonprobability, community-based sample that extreme internalization of dominant cultural values can set the stage for violence toward marginalized groups. Implications for intervention programming and future research are reviewed. PMID:22081759

On the monitoring and implications of growing damages caused by manufacturing defects in composite structures

NASA Astrophysics Data System (ADS)

Schagerl, M.; Viechtbauer, C.; Hörrmann, S.

2015-07-01

Damage tolerance is a classical safety concept for the design of aircraft structures. Basically, this approach considers possible damages in the structure, predicts the damage growth under applied loading conditions and predicts the following decrease of the structural strength. As a fundamental result the damage tolerance approach yields the maximum inspection interval, which is the time a damage grows from a detectable to a critical level. The above formulation of the damage tolerance safety concept targets on metallic structures where the damage is typically a simple fatigue crack. Fiber-reinforced polymers show a much more complex damage behavior, such as delaminationsin laminated composites. Moreover, progressive damage in composites is often initiated by manufacturing defects. The complex manufacturing processes for composite structures almost certainly yield parts with defects, e.g. pores in the matrix or undulations of fibers. From such defects growing damages may start after a certain time of operation. The demand to simplify or even avoid the inspection of composite structures has therefore led to a comeback of the traditional safe-life safety concept. The aim of the so-called safe-life flaw tolerance concept is a structure that is capable of carrying the static loads during operation, despite significant damages and after a representative fatigue load spectrum. A structure with this property does not need to be inspected, respectively monitored at all during its service life. However, its load carrying capability is thereby not fully utilized. This article presents the possible refinement of the state-of-the-art safe-life flaw tolerance concept for composite structures towards a damage tolerance approach considering also the influence of manufacturing defects on damage initiation and growth. Based on fundamental physical relations and experimental observations the challenges when developing damage growth and residual strength curves are discussed.

Organic-Inorganic Perovskites: Structural Versatility for Functional Materials Design.

PubMed

Saparov, Bayrammurad; Mitzi, David B

2016-04-13

Although known since the late 19th century, organic-inorganic perovskites have recently received extraordinary research community attention because of their unique physical properties, which make them promising candidates for application in photovoltaic (PV) and related optoelectronic devices. This review will explore beyond the current focus on three-dimensional (3-D) lead(II) halide perovskites, to highlight the great chemical flexibility and outstanding potential of the broader class of 3-D and lower dimensional organic-based perovskite family for electronic, optical, and energy-based applications as well as fundamental research. The concept of a multifunctional organic-inorganic hybrid, in which the organic and inorganic structural components provide intentional, unique, and hopefully synergistic features to the compound, represents an important contemporary target.

Microfluidic 3D cell culture: potential application for tissue-based bioassays

PubMed Central

Li, XiuJun (James); Valadez, Alejandra V.; Zuo, Peng; Nie, Zhihong

2014-01-01

Current fundamental investigations of human biology and the development of therapeutic drugs, commonly rely on two-dimensional (2D) monolayer cell culture systems. However, 2D cell culture systems do not accurately recapitulate the structure, function, physiology of living tissues, as well as highly complex and dynamic three-dimensional (3D) environments in vivo. The microfluidic technology can provide micro-scale complex structures and well-controlled parameters to mimic the in vivo environment of cells. The combination of microfluidic technology with 3D cell culture offers great potential for in vivo-like tissue-based applications, such as the emerging organ-on-a-chip system. This article will review recent advances in microfluidic technology for 3D cell culture and their biological applications. PMID:22793034

3D Grain Reconstruction from Boxscan Data

DTIC Science & Technology

2010-01-01

H.F. Poulsen∗ and E. M. Lauridsen∗ ∗ Center for Fundamental Research: Metal Structures in Four Dimensions, Materials Research Division, Risø- DTU , DK...Center for Fundamental Research,Metal Structures in FOur Dimensions, Materials Research Division,Riso- DTU , DK-4000,Roskilde, Denmark, 8. PERFORMING...provision of beam time by the ESRF, Grenoble, France, is greatly acknowledged. Furthermore, the staff at Risø- DTU thanks R. Gardner for valuable

From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.

PubMed

Baerends, E J

2017-06-21

It is often stated that the Kohn-Sham occupied-unoccupied gap in both molecules and solids is "wrong". We argue that this is not a correct statement. The KS theory does not allow to interpret the exact KS HOMO-LUMO gap as the fundamental gap (difference (I - A) of electron affinity (A) and ionization energy (I), twice the chemical hardness), from which it indeed differs, strongly in molecules and moderately in solids. The exact Kohn-Sham HOMO-LUMO gap in molecules is much below the fundamental gap and very close to the much smaller optical gap (first excitation energy), and LDA/GGA yield very similar gaps. In solids the situation is different: the excitation energy to delocalized excited states and the fundamental gap (I - A) are very similar, not so disparate as in molecules. Again the Kohn-Sham and LDA/GGA band gaps do not represent (I - A) but are significantly smaller. However, the special properties of an extended system like a solid make it very easy to calculate the fundamental gap from the ground state (neutral system) band structure calculations entirely within a density functional framework. The correction Δ from the KS gap to the fundamental gap originates from the response part v resp of the exchange-correlation potential and can be calculated very simply using an approximation to v resp . This affords a calculation of the fundamental gap at the same level of accuracy as other properties of crystals at little extra cost beyond the ground state bandstructure calculation. The method is based on integer electron systems, fractional electron systems (an ensemble of N- and (N + 1)-electron systems) and the derivative discontinuity are not invoked.

Structure of disordered gold-polymer thin films using small angle x-ray scattering

NASA Astrophysics Data System (ADS)

Teixeira, F. S.; Salvadori, M. C.; Cattani, M.; Brown, I. G.

2010-11-01

We have investigated the structure of disordered gold-polymer thin films using small angle x-ray scattering and compared the results with the predictions of a theoretical model based on two approaches—a structure form factor approach and the generalized Porod law. The films are formed of polymer-embedded gold nanoclusters and were fabricated by very low energy gold ion implantation into polymethylmethacrylate (PMMA). The composite films span (with dose variation) the transition from electrically insulating to electrically conducting regimes, a range of interest fundamentally and technologically. We find excellent agreement with theory and show that the PMMA-Au films have monodispersive or polydispersive characteristics depending on the implanted ion dose.

A model-based investigation of manipulator characteristics and pilot/vehicle performance

NASA Technical Reports Server (NTRS)

Hess, R. A.

1983-01-01

Hess (1978, 1981) has introduced and discussed a structural model of the human pilot in which proprioceptive feedback plays a fundamental role in determining pilot equalization characteristics. It is pointed out that, on account of the feedback structure, this model may provide more insight into the effects of certain manipulator characteristics upon pilot equalization than would other modeling approaches. The model is briefly discussed, and an outline is presented concerning some of the implications of the model structure regarding the manipulator characteristics. Attention is given to some specific empirical examples of manipulator effects involving glide slope tracking in STOL aircraft, taking into account an employment of the model as a theoretical framework.

Optimal observables for multiparameter seismic tomography

NASA Astrophysics Data System (ADS)

Bernauer, Moritz; Fichtner, Andreas; Igel, Heiner

2014-08-01

We propose a method for the design of seismic observables with maximum sensitivity to a target model parameter class, and minimum sensitivity to all remaining parameter classes. The resulting optimal observables thereby minimize interparameter trade-offs in multiparameter inverse problems. Our method is based on the linear combination of fundamental observables that can be any scalar measurement extracted from seismic waveforms. Optimal weights of the fundamental observables are determined with an efficient global search algorithm. While most optimal design methods assume variable source and/or receiver positions, our method has the flexibility to operate with a fixed source-receiver geometry, making it particularly attractive in studies where the mobility of sources and receivers is limited. In a series of examples we illustrate the construction of optimal observables, and assess the potentials and limitations of the method. The combination of Rayleigh-wave traveltimes in four frequency bands yields an observable with strongly enhanced sensitivity to 3-D density structure. Simultaneously, sensitivity to S velocity is reduced, and sensitivity to P velocity is eliminated. The original three-parameter problem thereby collapses into a simpler two-parameter problem with one dominant parameter. By defining parameter classes to equal earth model properties within specific regions, our approach mimics the Backus-Gilbert method where data are combined to focus sensitivity in a target region. This concept is illustrated using rotational ground motion measurements as fundamental observables. Forcing dominant sensitivity in the near-receiver region produces an observable that is insensitive to the Earth structure at more than a few wavelengths' distance from the receiver. This observable may be used for local tomography with teleseismic data. While our test examples use a small number of well-understood fundamental observables, few parameter classes and a radially symmetric earth model, the method itself does not impose such restrictions. It can easily be applied to large numbers of fundamental observables and parameters classes, as well as to 3-D heterogeneous earth models.

Metagenomic analysis of the microbiota in the highly compartmented hindguts of six wood- or soil-feeding higher termites.

PubMed

Rossmassler, Karen; Dietrich, Carsten; Thompson, Claire; Mikaelyan, Aram; Nonoh, James O; Scheffrahn, Rudolf H; Sillam-Dussès, David; Brune, Andreas

2015-11-26

Termites are important contributors to carbon and nitrogen cycling in tropical ecosystems. Higher termites digest lignocellulose in various stages of humification with the help of an entirely prokaryotic microbiota housed in their compartmented intestinal tract. Previous studies revealed fundamental differences in community structure between compartments, but the functional roles of individual lineages in symbiotic digestion are mostly unknown. Here, we conducted a highly resolved analysis of the gut microbiota in six species of higher termites that feed on plant material at different levels of humification. Combining amplicon sequencing and metagenomics, we assessed similarities in community structure and functional potential between the major hindgut compartments (P1, P3, and P4). Cluster analysis of the relative abundances of orthologous gene clusters (COGs) revealed high similarities among wood- and litter-feeding termites and strong differences to humivorous species. However, abundance estimates of bacterial phyla based on 16S rRNA genes greatly differed from those based on protein-coding genes. Community structure and functional potential of the microbiota in individual gut compartments are clearly driven by the digestive strategy of the host. The metagenomics libraries obtained in this study provide the basis for future studies that elucidate the fundamental differences in the symbiont-mediated breakdown of lignocellulose and humus by termites of different feeding groups. The high proportion of uncultured bacterial lineages in all samples calls for a reference-independent approach for the correct taxonomic assignment of protein-coding genes.

Design issues for optimum solar cell configuration

NASA Astrophysics Data System (ADS)

Kumar, Atul; Thakur, Ajay D.

2018-05-01

A computer based simulation of solar cell structure is performed to study the optimization of pn junction configuration for photovoltaic action. The fundamental aspects of photovoltaic action viz, absorption, separation collection, and their dependence on material properties and deatails of device structures is discussed. Using SCAPS 1D we have simulated the ideal pn junction and shown the effect of band offset and carrier densities on solar cell performance. The optimum configuration can be achieved by optimizing transport of carriers in pn junction under effect of field dependent recombination (tunneling) and density dependent recombination (SRH, Auger) mechanisms.

Characteristics of transitional and turbulent jet diffusion flames in microgravity

NASA Technical Reports Server (NTRS)

Bahadori, Yousef M.; Small, James F., Jr.; Hegde, Uday G.; Zhou, Liming; Stocker, Dennis P.

1995-01-01

This paper presents the ground-based results obtained to date in preparation of a proposed space experiment to study the role of large-scale structures in microgravity transitional and turbulent gas-jet diffusion flames by investigating the dynamics of vortex/flame interactions and their influence on flame characteristics. The overall objective is to gain an understanding of the fundamental characteristics of transitional and turbulent gas-jet diffusion flames. Understanding of the role of large-scale structures on the characteristics of microgravity transitional and turbulent flames will ultimately lead to improved understanding of normal-gravity turbulent combustion.

Metaphorical motion in mathematical reasoning: further evidence for pre-motor implementation of structure mapping in abstract domains.

PubMed

Fields, Chris

2013-08-01

The theory of computation and category theory both employ arrow-based notations that suggest that the basic metaphor "state changes are like motions" plays a fundamental role in all mathematical reasoning involving formal manipulations. If this is correct, structure-mapping inferences implemented by the pre-motor action planning system can be expected to be involved in solving any mathematics problems not solvable by table lookups and number line manipulations alone. Available functional imaging studies of multi-digit arithmetic, algebra, geometry and calculus problem solving are consistent with this expectation.

Metallurgy and properties of plasma spray formed materials

NASA Technical Reports Server (NTRS)

Mckechnie, T. N.; Liaw, Y. K.; Zimmerman, F. R.; Poorman, R. M.

1992-01-01

Understanding the fundamental metallurgy of vacuum plasma spray formed materials is the key to enhancing and developing full material properties. Investigations have shown that the microstructure of plasma sprayed materials must evolve from a powder splat morphology to a recrystallized grain structure to assure high strength and ductility. A fully, or near fully, dense material that exhibits a powder splat morphology will perform as a brittle material compared to a recrystallized grain structure for the same amount of porosity. Metallurgy and material properties of nickel, iron, and copper base alloys will be presented and correlated to microstructure.

Algorithms and Array Design Criteria for Robust Imaging in Interferometry

DTIC Science & Technology

2016-04-01

Chapter 1 Fundamentals of Optical Interferometry 1.1 Chapter Overview In this chapter, we introduce the physics -based principles of optical...particular physical structure (i.e. the existence of a certain type of loop in the interferometric graph), and provide a simple algorithm for... physical condition on aperture placement is more intuitive when considering the raw phase measurements as opposed to their closures. For this reason

A New Concept Map Model for E-Learning Environments

NASA Astrophysics Data System (ADS)

Dattolo, Antonina; Luccio, Flaminia L.

Web-based education enables learners and teachers to access a wide quantity of continuously updated educational sources. In order to support the learning process, a system has to provide some fundamental features, such as simple mechanisms for the identification of the collection of “interesting” documents, adequate structures for storing, organizing and visualizing these documents, and appropriate mechanisms for creating personalized adaptive paths and views for learners.

Industrial robots: Handbook

NASA Astrophysics Data System (ADS)

Kozyrev, Iu. G.

Topics covered include terms, definitions, and classification; operator-directed manipulators; autooperators as used in automated pressure casting; construction and application of industrial robots; and the operating bases of automated systems. Attention is given to adaptive and interactive robots; gripping mechanisms; applications to foundary production, press-forging plants, heat treatment, welding, and assembly operations. A review of design recommendations includes a determination of fundamental structural and technological indicators for industrial robots and a consideration of drive mechanisms.

Research Frontiers in Bioinspired Energy: Molecular-Level Learning from Natural Systems: A Workshop

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

Zolandz, Dorothy

An interactive, multidisciplinary, public workshop, organized by a group of experts in biochemistry, biophysics, chemical and biomolecular engineering, chemistry, microbial metabolism, and protein structure and function, was held on January 6-7, 2011 in Washington, DC. Fundamental insights into the biological energy capture, storage, and transformation processes provided by speakers was featured in this workshop which included topics such as microbes living in extreme environments such as hydrothermal vents or caustic soda lakes (extremophiles) provided a fascinating basis for discussing the exploration and development of new energy systems. Breakout sessions and extended discussions among the multidisciplinary groups of participants in themore » workshop fostered information sharing and possible collaborations on future bioinspired research. Printed and web-based materials that summarize the committee's assessment of what transpired at the workshop were prepared to advance further understanding of fundamental chemical properties of biological systems within and between the disciplines. In addition, webbased materials (including two animated videos) were developed to make the workshop content more accessible to a broad audience of students and researchers working across disciplinary boundaries. Key workshop discussion topics included: Exploring and identifying novel organisms; Identifying patterns and conserved biological structures in nature; Exploring and identifying fundamental properties and mechanisms of known biological systems; Supporting current, and creating new, opportunities for interdisciplinary education, training, and outreach; and Applying knowledge from biology to create new devices and sustainable technology.« less

Cation effect on small phosphonium based ionic liquid electrolytes with high concentrations of lithium salt

NASA Astrophysics Data System (ADS)

Chen, Fangfang; Kerr, Robert; Forsyth, Maria

2018-05-01

Ionic liquid electrolytes with high alkali salt concentrations have displayed some excellent electrochemical properties, thus opening up the field for further improvements to liquid electrolytes for lithium or sodium batteries. Fundamental computational investigations into these high concentration systems are required in order to gain a better understanding of these systems, yet they remain lacking. Small phosphonium-based ionic liquids with high concentrations of alkali metal ions have recently shown many promising results in experimental studies, thereby prompting us to conduct further theoretical exploration of these materials. Here, we conducted a molecular dynamics simulation on four small phosphonium-based ionic liquids with 50 mol. % LiFSI salt, focusing on the effect of cation structure on local structuring and ion diffusional and rotational dynamics—which are closely related to the electrochemical properties of these materials.

Emergence of cytotoxic resistance in cancer cell populations: Single-cell mechanisms and population-level consequences

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

Lorenzi, Tommaso; Chisholm, Rebecca H.; Lorz, Alexander

We formulate an individual-based model and a population model of phenotypic evolution, under cytotoxic drugs, in a cancer cell population structured by the expression levels of survival-potential and proliferation-potential. We apply these models to a recently studied experimental system. Our results suggest that mechanisms based on fundamental laws of biology can reversibly push an actively-proliferating, and drug-sensitive, cell population to transition into a weakly-proliferative and drug-tolerant state, which will eventually facilitate the emergence of more potent, proliferating and drug-tolerant cells.

Principles of assembly reveal a periodic table of protein complexes.

PubMed

Ahnert, Sebastian E; Marsh, Joseph A; Hernández, Helena; Robinson, Carol V; Teichmann, Sarah A

2015-12-11

Structural insights into protein complexes have had a broad impact on our understanding of biological function and evolution. In this work, we sought a comprehensive understanding of the general principles underlying quaternary structure organization in protein complexes. We first examined the fundamental steps by which protein complexes can assemble, using experimental and structure-based characterization of assembly pathways. Most assembly transitions can be classified into three basic types, which can then be used to exhaustively enumerate a large set of possible quaternary structure topologies. These topologies, which include the vast majority of observed protein complex structures, enable a natural organization of protein complexes into a periodic table. On the basis of this table, we can accurately predict the expected frequencies of quaternary structure topologies, including those not yet observed. These results have important implications for quaternary structure prediction, modeling, and engineering. Copyright © 2015, American Association for the Advancement of Science.

Rule of five in 2015 and beyond: Target and ligand structural limitations, ligand chemistry structure and drug discovery project decisions.

PubMed

Lipinski, Christopher A

2016-06-01

The rule of five (Ro5), based on physicochemical profiles of phase II drugs, is consistent with structural limitations in protein targets and the drug target ligands. Three of four parameters in Ro5 are fundamental to the structure of both target and drug binding sites. The chemical structure of the drug ligand depends on the ligand chemistry and design philosophy. Two extremes of chemical structure and design philosophy exist; ligands constructed in the medicinal chemistry synthesis laboratory without input from natural selection and natural product (NP) metabolites biosynthesized based on evolutionary selection. Exceptions to Ro5 are found mostly among NPs. Chemistry chameleon-like behavior of some NPs due to intra-molecular hydrogen bonding as exemplified by cyclosporine A is a strong contributor to NP Ro5 outliers. The fragment derived, drug Navitoclax is an example of the extensive expertise, resources, time and key decisions required for the rare discovery of a non-NP Ro5 outlier. Copyright © 2016 Elsevier B.V. All rights reserved.

Computational challenges of structure-based approaches applied to HIV.

PubMed

Forli, Stefano; Olson, Arthur J

2015-01-01

Here, we review some of the opportunities and challenges that we face in computational modeling of HIV therapeutic targets and structural biology, both in terms of methodology development and structure-based drug design (SBDD). Computational methods have provided fundamental support to HIV research since the initial structural studies, helping to unravel details of HIV biology. Computational models have proved to be a powerful tool to analyze and understand the impact of mutations and to overcome their structural and functional influence in drug resistance. With the availability of structural data, in silico experiments have been instrumental in exploiting and improving interactions between drugs and viral targets, such as HIV protease, reverse transcriptase, and integrase. Issues such as viral target dynamics and mutational variability, as well as the role of water and estimates of binding free energy in characterizing ligand interactions, are areas of active computational research. Ever-increasing computational resources and theoretical and algorithmic advances have played a significant role in progress to date, and we envision a continually expanding role for computational methods in our understanding of HIV biology and SBDD in the future.

Definitive diagnosis of early enamel and dentin cracks based on microscopic evaluation.

PubMed

Clark, David J; Sheets, Cherilyn G; Paquette, Jacinthe M

2003-01-01

The diagnoses of cracked teeth and incomplete coronal fracture have historically been symptom based. The dental operating microscope at 16x magnification can fundamentally change a clinician's ability to diagnose such conditions. Clinicians have been observing cracks under extreme magnification for nearly a decade. Patterns have become clear that can lead to appropriate treatment prior to symptoms or to devastation to tooth structure. Conversely, many cracks are not structural and can lead to misdiagnosis and overtreatment. Methodic microscopic examination, an understanding of crack progression, and an appreciation of the types of cracks will guide a doctor to make appropriate decisions. Teeth can have structural cracks in various stages. To date, diagnosis and treatment are very often at end stage of crack development. This article gives new guidelines for recognition, visualization, classification, and treatment of cracked teeth based on the routine use of 16x magnification. The significance of enamel cracks as they relate to dentinal cracks is detailed.

The Clock Mission Optis

NASA Astrophysics Data System (ADS)

Dittus, Hansjörg; Lämmerzahl, Claus

Clocks are an almost universal tool for exploring the fundamental structure of theories related to relativity. For future clock experiments, it is important for them to be performed in space. One mission which has the capability to perform and improve all relativity tests based on clocks by several orders of magnitude is OPTIS. These tests consist of (i) tests of the isotropy of light propagation (from which information about the matter sector which the optical resonators are made of can also be drawn), (ii) tests of the constancy of the speed of light, (iii) tests of the universality of the gravitational redshift by comparing clocks based on light propagation, like light clocks and various atomic clocks, (iv) time dilation based on the Doppler effect, (v) measuring the absolute gravitational redshift, (vi) measuring the perihelion advance of the satellite's orbit by using very precise tracking techniques, (vii) measuring the Lense-Thirring effect, and (viii) testing Newton's gravitational potential law on the scale of Earth-bound satellites. The corresponding tests are not only important for fundamental physics but also indispensable for practical purposes like navigation, Earth sciences, metrology, etc.

Progress in piezo-phototronic effect modulated photovoltaics.

PubMed

Que, Miaoling; Zhou, Ranran; Wang, Xiandi; Yuan, Zuqing; Hu, Guofeng; Pan, Caofeng

2016-11-02

Wurtzite structured materials, like ZnO, GaN, CdS, and InN, simultaneously possess semiconductor and piezoelectric properties. The inner-crystal piezopotential induced by external strain can effectively tune/control the carrier generation, transport and separation/combination processes at the metal-semiconductor contact or p-n junction, which is called the piezo-phototronic effect. This effect can efficiently enhance the performance of photovoltaic devices based on piezoelectric semiconductor materials by utilizing the piezo-polarization charges at the junction induced by straining, which can modulate the energy band of the piezoelectric material and then accelerate or prevent the separation process of the photon-generated electrons and vacancies. This paper introduces the fundamental physics principles of the piezo-phototronic effect, and reviews recent progress in piezo-phototronic effect enhanced solar cells, including solar cells based on semiconductor nanowire, organic/inorganic materials, quantum dots, and perovskite. The piezo-phototronic effect is suggested as a suitable basis for the development of an innovative method to enhance the performance of solar cells based on piezoelectric semiconductors by applied extrinsic strains, which might be appropriate for fundamental research and potential applications in various areas of optoelectronics.

Progress in piezo-phototronic effect modulated photovoltaics

NASA Astrophysics Data System (ADS)

Que, Miaoling; Zhou, Ranran; Wang, Xiandi; Yuan, Zuqing; Hu, Guofeng; Pan, Caofeng

2016-11-01

Wurtzite structured materials, like ZnO, GaN, CdS, and InN, simultaneously possess semiconductor and piezoelectric properties. The inner-crystal piezopotential induced by external strain can effectively tune/control the carrier generation, transport and separation/combination processes at the metal-semiconductor contact or p-n junction, which is called the piezo-phototronic effect. This effect can efficiently enhance the performance of photovoltaic devices based on piezoelectric semiconductor materials by utilizing the piezo-polarization charges at the junction induced by straining, which can modulate the energy band of the piezoelectric material and then accelerate or prevent the separation process of the photon-generated electrons and vacancies. This paper introduces the fundamental physics principles of the piezo-phototronic effect, and reviews recent progress in piezo-phototronic effect enhanced solar cells, including solar cells based on semiconductor nanowire, organic/inorganic materials, quantum dots, and perovskite. The piezo-phototronic effect is suggested as a suitable basis for the development of an innovative method to enhance the performance of solar cells based on piezoelectric semiconductors by applied extrinsic strains, which might be appropriate for fundamental research and potential applications in various areas of optoelectronics.

The "Food Polymer Science" approach to the practice of industrial R&D, leading to patent estates based on fundamental starch science and technology.

PubMed

Slade, Louise; Levine, Harry

2018-04-13

This article reviews the application of the "Food Polymer Science" approach to the practice of industrial R&D, leading to patent estates based on fundamental starch science and technology. The areas of patents and patented technologies reviewed here include: (a) soft-from-the-freezer ice creams and freezer-storage-stable frozen bread dough products, based on "cryostabilization technology" of frozen foods, utilizing commercial starch hydrolysis products (SHPs); (b) glassy-matrix encapsulation technology for flavors and other volatiles, based on structure-function relationships for commercial SHPs; (c) production of stabilized whole-grain wheat flours for biscuit products, based on the application of "solvent retention capacity" technology to develop flours with reduced damaged starch; (d) production of improved-quality, low-moisture cookies and crackers, based on pentosanase enzyme technology; (e) production of "baked-not-fried," chip-like, starch-based snack products, based on the use of commercial modified-starch ingredients with selected functionality; (f) accelerated staling of a starch-based food product from baked bread crumb, based on the kinetics of starch retrogradation, treated as a crystallization process for a partially crystalline glassy polymer system; and (g) a process for producing an enzyme-resistant starch, for use as a reduced-calorie flour replacer in a wide range of grain-based food products, including cookies, extruded expanded snacks, and breakfast cereals.

The Model of Complex Structure of Quark

NASA Astrophysics Data System (ADS)

Liu, Rongwu

2017-09-01

In Quantum Chromodynamics, quark is known as a kind of point-like fundamental particle which carries mass, charge, color, and flavor, strong interaction takes place between quarks by means of exchanging intermediate particles-gluons. An important consequence of this theory is that, strong interaction is a kind of short-range force, and it has the features of ``asymptotic freedom'' and ``quark confinement''. In order to reveal the nature of strong interaction, the ``bag'' model of vacuum and the ``string'' model of string theory were proposed in the context of quantum mechanics, but neither of them can provide a clear interaction mechanism. This article formulates a new mechanism by proposing a model of complex structure of quark, it can be outlined as follows: (1) Quark (as well as electron, etc) is a kind of complex structure, it is composed of fundamental particle (fundamental matter mass and electricity) and fundamental volume field (fundamental matter flavor and color) which exists in the form of limited volume; fundamental particle lies in the center of fundamental volume field, forms the ``nucleus'' of quark. (2) As static electric force, the color field force between quarks has classical form, it is proportional to the square of the color quantity carried by each color field, and inversely proportional to the area of cross section of overlapping color fields which is along force direction, it has the properties of overlap, saturation, non-central, and constant. (3) Any volume field undergoes deformation when interacting with other volume field, the deformation force follows Hooke's law. (4) The phenomena of ``asymptotic freedom'' and ``quark confinement'' are the result of color field force and deformation force.

Fundamental properties and atmospheric structure of the red supergiant VY Canis Majoris based on VLTI/AMBER spectro-interferometry

NASA Astrophysics Data System (ADS)

Wittkowski, M.; Hauschildt, P. H.; Arroyo-Torres, B.; Marcaide, J. M.

2012-04-01

Aims: We investigate the atmospheric structure and fundamental properties of the red supergiant VY CMa. Methods: We obtained near-infrared spectro-interferometric observations of VY CMa with spectral resolutions of 35 and 1500 using the AMBER instrument at the VLTI. Results: The visibility data indicate the presence of molecular layers of water vapor and CO in the extended atmosphere with an asymmetric morphology. The uniform disk diameter in the water band around 2.0 μm is increased by ~20% compared to the near-continuum bandpass at 2.20-2.25 μm, and in the CO band at 2.3-2.5 μm it is increased by up to ~50%. The closure phases indicate relatively small deviations from point symmetry close to the photospheric layer, and stronger deviations in the extended H2O and CO layers. Making use of the high spatial and spectral resolution, a near-continuum bandpass can be isolated from contamination by molecular and dusty layers, and the Rosseland-mean photospheric angular diameter is estimated to 11.3 ± 0.3 mas based on a PHOENIX atmosphere model. Together with recent high-precision estimates of the distance and spectro-photometry, this estimate corresponds to a radius of 1420 ± 120 R⊙ and an effective temperature of 3490 ± 90 K. Conclusions: VY CMa exhibits asymmetric, possibly clumpy, atmospheric layers of H2O and CO, which are not co-spatial, within a larger elongated dusty envelope. Our revised fundamental parameters put VY CMa close to the Hayashi limit of recent evolutionary tracks of initial mass 25 M⊙ with rotation or 32 M⊙ without rotation, shortly before evolving blueward in the HR-diagram. Based on observations made with the VLT Interferometer (VLTI) at Paranal Observatory under programme ID 386.D-0012.Figures 2, 3 and 5 are available in electronic form at http://www.aanda.org

Response spectrum method for extreme wave loading with higher order components of drag force

NASA Astrophysics Data System (ADS)

Reza, Tabeshpour Mohammad; Mani, Fatemi Dezfouli; Ali, Dastan Diznab Mohammad; Saied, Mohajernasab; Saied, Seif Mohammad

2017-03-01

Response spectra of fixed offshore structures impacted by extreme waves are investigated based on the higher order components of the nonlinear drag force. In this way, steel jacket platforms are simplified as a mass attached to a light cantilever cylinder and their corresponding deformation response spectra are estimated by utilizing a generalized single degree of freedom system. Based on the wave data recorded in the Persian Gulf region, extreme wave loading conditions corresponding to different return periods are exerted on the offshore structures. Accordingly, the effect of the higher order components of the drag force is considered and compared to the linearized state for different sea surface levels. When the fundamental period of the offshore structure is about one third of the main period of wave loading, the results indicate the linearized drag term is not capable of achieving a reliable deformation response spectrum.

DFT based vibrational spectroscopic investigations and biological activity of toxic material monocrotophos

NASA Astrophysics Data System (ADS)

Nimmi, D. E.; Sam, S. P. Chandhini; Praveen, S. G.; Binoy, J.

2018-05-01

Many organophosphate compounds exhibiting toxicity are widely used as pesticides and insecticides whose structural features can be explained excellently using geometric simulation using density functional theory and vibrational spectrum. In this work, the molecular structural parameters and vibrational frequencies of the fundamental modes of Monocrotophoshave been obtained using Density functional theory (DFT), using B3LYP functional with 6-311++G(d, p) basis sets and the detailed vibrational analysis of FT-IR and FT-Ramanspectral bands have been carried out using potential energy distribution (PED). The deviation from the resonance structure of phosphate group due to `bridging of oxygen' and π-resonance of amides has been investigated based on the spectral and geometric data. The molecular docking simulation of Monocrotophos with BSA and DNA has been performed to find the mode of binding and the interactions with BSA has been investigated with UV-Visible spectroscopic method, to assess the strength of binding.

Composite structural materials

NASA Technical Reports Server (NTRS)

Ansell, G. S.; Loewy, R. G.; Wiberley, S. E.

1982-01-01

The promise of filamentary composite materials, whose development may be considered as entering its second generation, continues to generate intense interest and applications activity. Fiber reinforced composite materials offer substantially improved performance and potentially lower costs for aerospace hardware. Much progress has been achieved since the initial developments in the mid 1960's. Rather limited applications to primary aircraft structure have been made, however, mainly in a material-substitution mode on military aircraft, except for a few experiments currently underway on large passenger airplanes in commercial operation. To fulfill the promise of composite materials completely requires a strong technology base. NASA and AFOSR recognize the present state of the art to be such that to fully exploit composites in sophisticated aerospace structures, the technology base must be improved. This, in turn, calls for expanding fundamental knowledge and the means by which it can be successfully applied in design and manufacture.

Minimal metabolic pathway structure is consistent with associated biomolecular interactions

PubMed Central

Bordbar, Aarash; Nagarajan, Harish; Lewis, Nathan E; Latif, Haythem; Ebrahim, Ali; Federowicz, Stephen; Schellenberger, Jan; Palsson, Bernhard O

2014-01-01

Pathways are a universal paradigm for functionally describing cellular processes. Even though advances in high-throughput data generation have transformed biology, the core of our biological understanding, and hence data interpretation, is still predicated on human-defined pathways. Here, we introduce an unbiased, pathway structure for genome-scale metabolic networks defined based on principles of parsimony that do not mimic canonical human-defined textbook pathways. Instead, these minimal pathways better describe multiple independent pathway-associated biomolecular interaction datasets suggesting a functional organization for metabolism based on parsimonious use of cellular components. We use the inherent predictive capability of these pathways to experimentally discover novel transcriptional regulatory interactions in Escherichia coli metabolism for three transcription factors, effectively doubling the known regulatory roles for Nac and MntR. This study suggests an underlying and fundamental principle in the evolutionary selection of pathway structures; namely, that pathways may be minimal, independent, and segregated. PMID:24987116

Programmable and Multifunctional DNA-Based Materials for Biomedical Applications.

PubMed

Zhang, Yuezhou; Tu, Jing; Wang, Dongqing; Zhu, Haitao; Maity, Sajal Kumar; Qu, Xiangmeng; Bogaert, Bram; Pei, Hao; Zhang, Hongbo

2018-06-01

DNA encodes the genetic information; recently, it has also become a key player in material science. Given the specific Watson-Crick base-pairing interactions between only four types of nucleotides, well-designed DNA self-assembly can be programmable and predictable. Stem-loops, sticky ends, Holliday junctions, DNA tiles, and lattices are typical motifs for forming DNA-based structures. The oligonucleotides experience thermal annealing in a near-neutral buffer containing a divalent cation (usually Mg 2+ ) to produce a variety of DNA nanostructures. These structures not only show beautiful landscape, but can also be endowed with multifaceted functionalities. This Review begins with the fundamental characterization and evolutionary trajectory of DNA-based artificial structures, but concentrates on their biomedical applications. The coverage spans from controlled drug delivery to high therapeutic profile and accurate diagnosis. A variety of DNA-based materials, including aptamers, hydrogels, origamis, and tetrahedrons, are widely utilized in different biomedical fields. In addition, to achieve better performance and functionality, material hybridization is widely witnessed, and DNA nanostructure modification is also discussed. Although there are impressive advances and high expectations, the development of DNA-based structures/technologies is still hindered by several commonly recognized challenges, such as nuclease instability, lack of pharmacokinetics data, and relatively high synthesis cost. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pulse register phonation in Diana monkey alarm calls

NASA Astrophysics Data System (ADS)

Riede, Tobias; Zuberbühler, Klaus

2003-05-01

The adult male Diana monkeys (Cercopithecus diana) produce predator-specific alarm calls in response to two of their predators, the crowned eagles and the leopards. The acoustic structure of these alarm calls is remarkable for a number of theoretical and empirical reasons. First, although pulsed phonation has been described in a variety of mammalian vocalizations, very little is known about the underlying production mechanism. Second, Diana monkey alarm calls are based almost exclusively on this vocal production mechanism to an extent that has never been documented in mammalian vocal behavior. Finally, the Diana monkeys' pulsed phonation strongly resembles the pulse register in human speech, where fundamental frequency is mainly controlled by subglottal pressure. Here, we report the results of a detailed acoustic analysis to investigate the production mechanism of Diana monkey alarm calls. Within calls, we found a positive correlation between the fundamental frequency and the pulse amplitude, suggesting that both humans and monkeys control fundamental frequency by subglottal pressure. While in humans pulsed phonation is usually considered pathological or artificial, male Diana monkeys rely exclusively on pulsed phonation, suggesting a functional adaptation. Moreover, we were unable to document any nonlinear phenomena, despite the fact that they occur frequently in the vocal repertoire of humans and nonhumans, further suggesting that the very robust Diana monkey pulse production mechanism has evolved for a particular functional purpose. We discuss the implications of these findings for the structural evolution of Diana monkey alarm calls and suggest that the restricted variability in fundamental frequency and robustness of the source signal gave rise to the formant patterns observed in Diana monkey alarm calls, used to convey predator information.

Computational structural mechanics engine structures computational simulator

NASA Technical Reports Server (NTRS)

Chamis, C. C.

1989-01-01

The Computational Structural Mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures.

Extracting Primordial Non-Gaussianity from Large Scale Structure in the Post-Planck Era

NASA Astrophysics Data System (ADS)

Dore, Olivier

Astronomical observations have become a unique tool to probe fundamental physics. Cosmology, in particular, emerged as a data-driven science whose phenomenological modeling has achieved great success: in the post-Planck era, key cosmological parameters are measured to percent precision. A single model reproduces a wealth of astronomical observations involving very distinct physical processes at different times. This success leads to fundamental physical questions. One of the most salient is the origin of the primordial perturbations that grew to form the large-scale structures we now observe. More and more cosmological observables point to inflationary physics as the origin of the structure observed in the universe. Inflationary physics predict the statistical properties of the primordial perturbations and it is thought to be slightly non-Gaussian. The detection of this small deviation from Gaussianity represents the next frontier in early Universe physics. To measure it would provide direct, unique and quantitative insights about the physics at play when the Universe was only a fraction of a second old, thus probing energies untouchable otherwise. En par with the well-known relic gravitational wave radiation -- the famous ``B-modes'' -- it is one the few probes of inflation. This departure from Gaussianity leads to very specific signature in the large scale clustering of galaxies. Observing large-scale structure, we can thus establish a direct connection with fundamental theories of the early universe. In the post-Planck era, large-scale structures are our most promising pathway to measuring this primordial signal. Current estimates suggests that the next generation of space or ground based large scale structure surveys (e.g. the ESA EUCLID or NASA WFIRST missions) might enable a detection of this signal. This potential huge payoff requires us to solidify the theoretical predictions supporting these measurements. Even if the exact signal we are looking for is of unknown amplitude, it is obvious that we must measure it as well as these ground breaking data set will permit. We propose to develop the supporting theoretical work to the point where the complete non-gaussianian signature can be extracted from these data sets. We will do so by developing three complementary directions: - We will develop the appropriate formalism to measure and model galaxy clustering on the largest scales. - We will study the impact of non-Gaussianity on higher-order statistics, the most promising statistics for our purpose.. - We will explicit the connection between these observables and the microphysics of a large class of inflation models, but also identify fundamental limitations to this interpretation.

Structure–property relationships in atomic-scale junctions: Histograms and beyond

DOE PAGES

Mark S. Hybertsen; Venkataraman, Latha

2016-03-03

Over the past 10 years, there has been tremendous progress in the measurement, modeling and understanding of structure–function relationships in single molecule junctions. Numerous research groups have addressed significant scientific questions, directed both to conductance phenomena at the single molecule level and to the fundamental chemistry that controls junction functionality. Many different functionalities have been demonstrated, including single-molecule diodes, optically and mechanically activated switches, and, significantly, physical phenomena with no classical analogues, such as those based on quantum interference effects. Experimental techniques for reliable and reproducible single molecule junction formation and characterization have led to this progress. In particular, themore » scanning tunneling microscope based break-junction (STM-BJ) technique has enabled rapid, sequential measurement of large numbers of nanoscale junctions allowing a statistical analysis to readily distinguish reproducible characteristics. Furthermore, harnessing fundamental link chemistry has provided the necessary chemical control over junction formation, enabling measurements that revealed clear relationships between molecular structure and conductance characteristics.« less

Structure–property relationships in atomic-scale junctions: Histograms and beyond

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

Mark S. Hybertsen; Venkataraman, Latha

Over the past 10 years, there has been tremendous progress in the measurement, modeling and understanding of structure–function relationships in single molecule junctions. Numerous research groups have addressed significant scientific questions, directed both to conductance phenomena at the single molecule level and to the fundamental chemistry that controls junction functionality. Many different functionalities have been demonstrated, including single-molecule diodes, optically and mechanically activated switches, and, significantly, physical phenomena with no classical analogues, such as those based on quantum interference effects. Experimental techniques for reliable and reproducible single molecule junction formation and characterization have led to this progress. In particular, themore » scanning tunneling microscope based break-junction (STM-BJ) technique has enabled rapid, sequential measurement of large numbers of nanoscale junctions allowing a statistical analysis to readily distinguish reproducible characteristics. Furthermore, harnessing fundamental link chemistry has provided the necessary chemical control over junction formation, enabling measurements that revealed clear relationships between molecular structure and conductance characteristics.« less

Wall of fundamental constants

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

Olive, Keith A.; School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota, 55455; Peloso, Marco

2011-02-15

We consider the signatures of a domain wall produced in the spontaneous symmetry breaking involving a dilatonlike scalar field coupled to electromagnetism. Domains on either side of the wall exhibit slight differences in their respective values of the fine-structure constant, {alpha}. If such a wall is present within our Hubble volume, absorption spectra at large redshifts may or may not provide a variation in {alpha} relative to the terrestrial value, depending on our relative position with respect to the wall. This wall could resolve the contradiction between claims of a variation of {alpha} based on Keck/Hires data and of themore » constancy of {alpha} based on Very Large Telescope data. We derive the properties of the wall and the parameters of the underlying microscopic model required to reproduce the possible spatial variation of {alpha}. We discuss the constraints on the existence of the low-energy domain wall and describe its observational implications concerning the variation of the fundamental constants.« less

Intermolecular G-quadruplex structure-based fluorescent DNA detection system.

PubMed

Zhou, Hui; Wu, Zai-Sheng; Shen, Guo-Li; Yu, Ru-Qin

2013-03-15

Adopting multi-donors to pair with one acceptor could improve the performance of fluorogenic detection probes. However, common dyes (e.g., fluorescein) in close proximity to each other would self-quench the fluorescence, and the fluorescence is difficult to restore. In this contribution, we constructed a novel "multi-donors-to-one acceptor" fluorescent DNA detection system by means of the intermolecular G-quadruplex (IGQ) structure-based fluorescence signal enhancement combined with the hairpin oligonucleotide. The novel IGQ-hairpin system was characterized using the p53 gene as the model target DNA. The proposed system showed an improved assay performance due to the introduction of IGQ-structure into fluorescent signaling probes, which could inhibit the background fluorescence and increase fluorescence restoration amplitude of fluoresceins upon target DNA hybridization. The proof-of-concept scheme is expected to provide new insight into the potential of G-quadruplex structure and promote the application of fluorescent oligonucleotide probes in fundamental research, diagnosis, and treatment of genetic diseases. Copyright © 2012 Elsevier B.V. All rights reserved.

Mapping atomic motions with ultrabright electrons: towards fundamental limits in space-time resolution.

PubMed

Manz, Stephanie; Casandruc, Albert; Zhang, Dongfang; Zhong, Yinpeng; Loch, Rolf A; Marx, Alexander; Hasegawa, Taisuke; Liu, Lai Chung; Bayesteh, Shima; Delsim-Hashemi, Hossein; Hoffmann, Matthias; Felber, Matthias; Hachmann, Max; Mayet, Frank; Hirscht, Julian; Keskin, Sercan; Hada, Masaki; Epp, Sascha W; Flöttmann, Klaus; Miller, R J Dwayne

2015-01-01

The long held objective of directly observing atomic motions during the defining moments of chemistry has been achieved based on ultrabright electron sources that have given rise to a new field of atomically resolved structural dynamics. This class of experiments requires not only simultaneous sub-atomic spatial resolution with temporal resolution on the 100 femtosecond time scale but also has brightness requirements approaching single shot atomic resolution conditions. The brightness condition is in recognition that chemistry leads generally to irreversible changes in structure during the experimental conditions and that the nanoscale thin samples needed for electron structural probes pose upper limits to the available sample or "film" for atomic movies. Even in the case of reversible systems, the degree of excitation and thermal effects require the brightest sources possible for a given space-time resolution to observe the structural changes above background. Further progress in the field, particularly to the study of biological systems and solution reaction chemistry, requires increased brightness and spatial coherence, as well as an ability to tune the electron scattering cross-section to meet sample constraints. The electron bunch density or intensity depends directly on the magnitude of the extraction field for photoemitted electron sources and electron energy distribution in the transverse and longitudinal planes of electron propagation. This work examines the fundamental limits to optimizing these parameters based on relativistic electron sources using re-bunching cavity concepts that are now capable of achieving 10 femtosecond time scale resolution to capture the fastest nuclear motions. This analysis is given for both diffraction and real space imaging of structural dynamics in which there are several orders of magnitude higher space-time resolution with diffraction methods. The first experimental results from the Relativistic Electron Gun for Atomic Exploration (REGAE) are given that show the significantly reduced multiple electron scattering problem in this regime, which opens up micron scale systems, notably solution phase chemistry, to atomically resolved structural dynamics.

Left-handed transmission in a simple cut-wire pair structure

NASA Astrophysics Data System (ADS)

Tung, Nguyen Thanh; Thuy, Vu Tran Thanh; Park, Jin Woo; Rhee, Joo Yull; Lee, YoungPak

2010-01-01

It is well known that, together with the plasma behavior of continuous wires, the use of cut-wire pair as a metamagnetic component is to drive the negative permeability in the left-handed combined structure. In this study, we have investigated a strange left-handed transmission in a metamaterial consisting of only conventional cut-wire pair structure without additional adjustment. It is shown that the observed left-handed behavior, which occurs at a frequency three times higher than that for the combined structure, originates from the fundamental negative permittivity provided by the symmetric resonant mode and a negative permeability by the third-order asymmetric resonance. Our results would simplify extremely the fabricating procedure, especially, for terahertz regime as well as reveal many possibilities to design optical devices based on the electromagnetic responses of cut-wire structure.

Structural stiffness, strength and dynamic characteristics of large tetrahedral space truss structures

NASA Technical Reports Server (NTRS)

Mikulas, M. M., Jr.; Bush, H. G.; Card, M. F.

1977-01-01

Physical characteristics of large skeletal frameworks for space applications are investigated by analyzing one concept: the tetrahedral truss, which is idealized as a sandwich plate with isotropic faces. Appropriate analytical relations are presented in terms of the truss column element properties which for calculations were taken as slender graphite/epoxy tubes. Column loads, resulting from gravity gradient control and orbital transfer, are found to be small for the class structure investigated. Fundamental frequencies of large truss structures are shown to be an order of magnitude lower than large earth based structures. Permissible loads are shown to result in small lateral deflections of the truss due to low-strain at Euler buckling of the slender graphite/epoxy truss column elements. Lateral thermal deflections are found to be a fraction of the truss depth using graphite/epoxy columns.

Illustration as a way to explain the complex structures of foraminifera. The scientific drawing of Lukas Hottinger. In memoriam (1933-2011)

NASA Astrophysics Data System (ADS)

Leria, M.; Ferrandez, C.; Ruiz-Ortega, M.

2012-12-01

Scientific illustration is a fundamental tool for transmitting scientific knowledge because it allows to define aspects that cannot be appreciated just by text description, or by means of photography. This study is based on the collection of illustrations created by the paleontologist Lukas Hottinger (1933-2011) during his extensive career. Hottinger studied, described and illustrated foraminifera for more than fifty years. The use of illustration is essential for studying, describing and clasifying these marine microfossils. Foraminifera are a constituent of marine sedimentary rocks; the study of their internal anatomy often is made from thin sections of rocks, a destructive technique which provides only two dimensional sections. The internal three-dimensional morphology of a species must be interpreted and reconstructed from numerous random two-dimensional sections. New technologies, such as SEM or more recently X-ray Microtomography provided progressively better images of the internal structure but this information, while useful, is still insufficient to explain with simplicity and efficacy what an illustration of a synthetic 3D model shows at a glance. This study is based on a review of 78 publications by Lukas Hottinger on foraminiferal inner structure. In addition, up to 150 illustrations by Hottinger were analyzed, as well as other works written by his colleagues during the same years (1956-2009). Hottinger's work includes several reference papers on the structure and systematics of different groups of larger foraminifera in which his three dimensional models play a fundamental role in synthesizing and making understandable the complexity of these shells. Illustrations of 3D models were particularly selected because of their conceptual complexity. They do not represent a view of the foraminiferal structure that can be observe directly, but a synthetic abstraction constructed from the observation and interpretation of many random two-dimensional sections of diverse individuals. We also analyzed the evolution of the method and techniques of representation through the different papers, coming to the conclusion that they changed according to the printing methods and the current technology (e.g. computer drawing software), but the basic concept of drawings has not been highly modified. The preliminary results demonstrate that illustrations are a necessary and fundamental element in the study of foraminiferal structure, and that it is beneficial for the scientist to have a good knowledge of the various skills involved in drawing and illustration, in order to better disseminate the results of his research with clarity and make complexity comprehensible.

Design rules for quasi-linear nonlinear optical structures

NASA Astrophysics Data System (ADS)

Lytel, Richard; Mossman, Sean M.; Kuzyk, Mark G.

2015-09-01

The maximization of the intrinsic optical nonlinearities of quantum structures for ultrafast applications requires a spectrum scaling as the square of the energy eigenstate number or faster. This is a necessary condition for an intrinsic response approaching the fundamental limits. A second condition is a design generating eigenstates whose ground and lowest excited state probability densities are spatially separated to produce large differences in dipole moments while maintaining a reasonable spatial overlap to produce large off-diagonal transition moments. A structure whose design meets both conditions will necessarily have large first or second hyperpolarizabilities. These two conditions are fundamental heuristics for the design of any nonlinear optical structure.

2 + 1 dimensional de Sitter universe emerging from the gauge structure of a nonlinear quantum system.

PubMed

Kam, Chon-Fai; Liu, Ren-Bao

2017-08-29

Berry phases and gauge structures are fundamental quantum phenomena. In linear quantum mechanics the gauge field in parameter space presents monopole singularities where the energy levels become degenerate. In nonlinear quantum mechanics, which is an effective theory of interacting quantum systems, there can be phase transitions and hence critical surfaces in the parameter space. We find that these critical surfaces result in a new type of gauge field singularity, namely, a conic singularity that resembles the big bang of a 2 + 1 dimensional de Sitter universe, with the fundamental frequency of Bogoliubov excitations acting as the cosmic scale, and mode softening at the critical surface, where the fundamental frequency vanishes, causing a causal singularity. Such conic singularity may be observed in various systems such as Bose-Einstein condensates and molecular magnets. This finding offers a new approach to quantum simulation of fundamental physics.

Fundamental Activity Constraints Lead to Specific Interpretations of the Connectome.

PubMed

Schuecker, Jannis; Schmidt, Maximilian; van Albada, Sacha J; Diesmann, Markus; Helias, Moritz

2017-02-01

The continuous integration of experimental data into coherent models of the brain is an increasing challenge of modern neuroscience. Such models provide a bridge between structure and activity, and identify the mechanisms giving rise to experimental observations. Nevertheless, structurally realistic network models of spiking neurons are necessarily underconstrained even if experimental data on brain connectivity are incorporated to the best of our knowledge. Guided by physiological observations, any model must therefore explore the parameter ranges within the uncertainty of the data. Based on simulation results alone, however, the mechanisms underlying stable and physiologically realistic activity often remain obscure. We here employ a mean-field reduction of the dynamics, which allows us to include activity constraints into the process of model construction. We shape the phase space of a multi-scale network model of the vision-related areas of macaque cortex by systematically refining its connectivity. Fundamental constraints on the activity, i.e., prohibiting quiescence and requiring global stability, prove sufficient to obtain realistic layer- and area-specific activity. Only small adaptations of the structure are required, showing that the network operates close to an instability. The procedure identifies components of the network critical to its collective dynamics and creates hypotheses for structural data and future experiments. The method can be applied to networks involving any neuron model with a known gain function.

Towards full waveform ambient noise inversion

NASA Astrophysics Data System (ADS)

Sager, Korbinian; Ermert, Laura; Boehm, Christian; Fichtner, Andreas

2018-01-01

In this work we investigate fundamentals of a method—referred to as full waveform ambient noise inversion—that improves the resolution of tomographic images by extracting waveform information from interstation correlation functions that cannot be used without knowing the distribution of noise sources. The fundamental idea is to drop the principle of Green function retrieval and to establish correlation functions as self-consistent observables in seismology. This involves the following steps: (1) We introduce an operator-based formulation of the forward problem of computing correlation functions. It is valid for arbitrary distributions of noise sources in both space and frequency, and for any type of medium, including 3-D elastic, heterogeneous and attenuating media. In addition, the formulation allows us to keep the derivations independent of time and frequency domain and it facilitates the application of adjoint techniques, which we use to derive efficient expressions to compute first and also second derivatives. The latter are essential for a resolution analysis that accounts for intra- and interparameter trade-offs. (2) In a forward modelling study we investigate the effect of noise sources and structure on different observables. Traveltimes are hardly affected by heterogeneous noise source distributions. On the other hand, the amplitude asymmetry of correlations is at least to first order insensitive to unmodelled Earth structure. Energy and waveform differences are sensitive to both structure and the distribution of noise sources. (3) We design and implement an appropriate inversion scheme, where the extraction of waveform information is successively increased. We demonstrate that full waveform ambient noise inversion has the potential to go beyond ambient noise tomography based on Green function retrieval and to refine noise source location, which is essential for a better understanding of noise generation. Inherent trade-offs between source and structure are quantified using Hessian-vector products.

An approach to multiscale modelling with graph grammars.

PubMed

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-09-01

Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.

An approach to multiscale modelling with graph grammars

PubMed Central

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-01-01

Background and Aims Functional–structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. Methods A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Key Results Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. Conclusions The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models. PMID:25134929

Encoding of a spectrally-complex communication sound in the bullfrog's auditory nerve.

PubMed

Schwartz, J J; Simmons, A M

1990-02-01

1. A population study of eighth nerve responses in the bullfrog, Rana catesbeiana, was undertaken to analyze how the eighth nerve codes the complex spectral and temporal structure of the species-specific advertisement call over a biologically-realistic range of intensities. Synthetic advertisement calls were generated by Fourier synthesis and presented to individual eighth nerve fibers of anesthetized bullfrogs. Fiber responses were analyzed by calculating rate responses based on post-stimulus-time (PST) histograms and temporal responses based on Fourier transforms of period histograms. 2. At stimulus intensities of 70 and 80 dB SPL, normalized rate responses provide a fairly good representation of the complex spectral structure of the stimulus, particularly in the low- and mid-frequency range. At higher intensities, rate responses saturate, and very little of the spectral structure of the complex stimulus can be seen in the profile of rate responses of the population. 3. Both AP and BP fibers phase-lock strongly to the fundamental (100 Hz) of the complex stimulus. These effects are relatively resistant to changes in stimulus intensity. Only a small number of fibers synchronize to the low-frequency spectral energy in the stimulus. The underlying spectral complexity of the stimulus is not accurately reflected in the timing of fiber firing, presumably because firing is 'captured' by the fundamental frequency. 4. Plots of average localized synchronized rate (ALSR), which combine both spectral and temporal information, show a similar, low-pass shape at all stimulus intensities. ALSR plots do not generally provide an accurate representation of the structure of the advertisement call. 5. The data suggest that anuran peripheral auditory fibers may be particularly sensitive to the amplitude envelope of sounds.

Remediation of information processing following traumatic brain injury: a community-based rehabilitation approach.

PubMed

Ashley, Mark J; Ashley, Jessica; Kreber, Lisa

2012-01-01

Traumatic brain injury (TBI) results in disruption of information processing via damage to primary, secondary, and tertiary cortical regions, as well as, subcortical pathways supporting information flow within and between cortical structures. TBI predominantly affects the anterior frontal poles, anterior temporal poles, white matter tracts and medial temporal structures. Fundamental information processing skills such as attention, perceptual processing, categorization and cognitive distance are concentrated within these same regions and are frequently disrupted following injury. Information processing skills improve in accordance with the extent to which residual frontal and temporal neurons can be encouraged to recruit and bias neuronal networks or the degree to which the functional connectivity of neural networks can be re-established and result in re-emergence or regeneration of specific cognitive skills. Higher-order cognitive processes, i.e., memory, reasoning, problem solving and other executive functions, are dependent upon the integrity of attention, perceptual processing, categorization, and cognitive distance. A therapeutic construct for treatment of attention, perceptual processing, categorization and cognitive distance deficits is presented along with an interventional model for encouragement of re-emergence or regeneration of these fundamental information processing skills.

Current Research in Lidar Technology Used for the Remote Sensing of Atmospheric Aerosols

PubMed Central

Comerón, Adolfo; Muñoz-Porcar, Constantino; Rocadenbosch, Francesc; Rodríguez-Gómez, Alejandro; Sicard, Michaël

2017-01-01

Lidars are active optical remote sensing instruments with unique capabilities for atmospheric sounding. A manifold of atmospheric variables can be profiled using different types of lidar: concentration of species, wind speed, temperature, etc. Among them, measurement of the properties of aerosol particles, whose influence in many atmospheric processes is important but is still poorly stated, stands as one of the main fields of application of current lidar systems. This paper presents a review on fundamentals, technology, methodologies and state-of-the art of the lidar systems used to obtain aerosol information. Retrieval of structural (aerosol layers profiling), optical (backscatter and extinction coefficients) and microphysical (size, shape and type) properties requires however different levels of instrumental complexity; this general outlook is structured following a classification that attends these criteria. Thus, elastic systems (detection only of emitted frequencies), Raman systems (detection also of Raman frequency-shifted spectral lines), high spectral resolution lidars, systems with depolarization measurement capabilities and multi-wavelength instruments are described, and the fundamentals in which the retrieval of aerosol parameters is based is in each case detailed. PMID:28632170

Fundamental Principles of Network Formation among Preschool Children1

PubMed Central

Schaefer, David R.; Light, John M.; Fabes, Richard A.; Hanish, Laura D.; Martin, Carol Lynn

2009-01-01

The goal of this research was to investigate the origins of social networks by examining the formation of children’s peer relationships in 11 preschool classes throughout the school year. We investigated whether several fundamental processes of relationship formation were evident at this age, including reciprocity, popularity, and triadic closure effects. We expected these mechanisms to change in importance over time as the network crystallizes, allowing more complex structures to evolve from simpler ones in a process we refer to as structural cascading. We analyzed intensive longitudinal observational data of children’s interactions using the SIENA actor-based model. We found evidence that reciprocity, popularity, and triadic closure all shaped the formation of preschool children’s networks. The influence of reciprocity remained consistent, whereas popularity and triadic closure became increasingly important over the course of the school year. Interactions between age and endogenous network effects were nonsignificant, suggesting that these network formation processes were not moderated by age in this sample of young children. We discuss the implications of our longitudinal network approach and findings for the study of early network developmental processes. PMID:20161606

Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions.

PubMed

Jiao, Yan; Zheng, Yao; Jaroniec, Mietek; Qiao, Shi Zhang

2015-04-21

A fundamental change has been achieved in understanding surface electrochemistry due to the profound knowledge of the nature of electrocatalytic processes accumulated over the past several decades and to the recent technological advances in spectroscopy and high resolution imaging. Nowadays one can preferably design electrocatalysts based on the deep theoretical knowledge of electronic structures, via computer-guided engineering of the surface and (electro)chemical properties of materials, followed by the synthesis of practical materials with high performance for specific reactions. This review provides insights into both theoretical and experimental electrochemistry toward a better understanding of a series of key clean energy conversion reactions including oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). The emphasis of this review is on the origin of the electrocatalytic activity of nanostructured catalysts toward the aforementioned reactions by correlating the apparent electrode performance with their intrinsic electrochemical properties. Also, a rational design of electrocatalysts is proposed starting from the most fundamental aspects of the electronic structure engineering to a more practical level of nanotechnological fabrication.

Vesicle encapsulation of a nonbiological photochemical system capable of reducing NAD(+) to NADH.

PubMed

Summers, David P; Rodoni, David

2015-10-06

One of the fundamental structures of a cell is the membrane. Self-assembling lipid bilayer vesicles can form the membrane of an artificial cell and could also have plausibly assembled prebiotically for the origin of life. Such cell-like structures, that encapsulate some basic subset of the functions of living cells, are important for research to infer the minimum chemistry necessary for a cell, to help understand the origin of life, and to allow the production of useful species in microscopic containers. We show that the encapsulation of TiO2 particles has the potential to provide the basis for an energy transduction system inside vesicles which can be used to drive subsequent chemistry. TiO2 encapsulated in vesicles can be used to produce biochemical species such as NADH. The NADH is formed from NAD(+) reduction and is produced in a form that is able to drive further enzymatic chemistry. This allows us to link a mineral-based, nonbiological photosystem to biochemical reactions. This is a fundamental step toward being able to use this mineral photosystem in a protocell/artificial cell.

Ionic liquids composed of phosphonium cations and organophosphate, carboxylate, and sulfonate as lubricant antiwear additives

DOE PAGES

Zhou, Yan; Dyck, Jeffrey; Graham, Todd; ...

2014-10-20

Oil-soluble phosphonium-based ionic liquids (ILs) have recently been reported as potential ashless lubricant additives. This study is to expand the IL chemistry envelope and to achieve fundamental correlations between the ion structures and ILs’ physiochemical and tribological properties. Here we present eight ILs containing two different phosphonium cations and seven different anions from three groups: organophosphate, carboxylate, and sulfonate. The oil solubility of ILs seems largely governed by the IL molecule size and structure complexity. When used as oil additives, the ranking of effectiveness in wear protection for the anions are: organophosphate > carboxylate > sulfonate. All selected ILs outperformedmore » a commercial ashless anti-wear additive. Surface characterization from the top and the cross-section revealed the nanostructures and compositions of the tribo-films formed by the ILs. Some fundamental insights were achieved: branched and long alkyls improve the IL’s oil solubility, anions of a phosphonium-phosphate IL contribute most phosphorus in the tribofilm, and carboxylate anions, though free of P, S, N, or halogen, can promote the formation of an anti-wear tribofilm.« less

Fundamental limits in heat-assisted magnetic recording and methods to overcome it with exchange spring structures

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

Suess, D.; Abert, C.; Bruckner, F.

2015-04-28

The switching probability of magnetic elements for heat-assisted recording with pulsed laser heating was investigated. It was found that FePt elements with a diameter of 5 nm and a height of 10 nm show, at a field of 0.5 T, thermally written-in errors of 12%, which is significantly too large for bit-patterned magnetic recording. Thermally written-in errors can be decreased if larger-head fields are applied. However, larger fields lead to an increase in the fundamental thermal jitter. This leads to a dilemma between thermally written-in errors and fundamental thermal jitter. This dilemma can be partly relaxed by increasing the thickness of the FePtmore » film up to 30 nm. For realistic head fields, it is found that the fundamental thermal jitter is in the same order of magnitude of the fundamental thermal jitter in conventional recording, which is about 0.5–0.8 nm. Composite structures consisting of high Curie top layer and FePt as a hard magnetic storage layer can reduce the thermally written-in errors to be smaller than 10{sup −4} if the damping constant is increased in the soft layer. Large damping may be realized by doping with rare earth elements. Similar to single FePt grains in composite structure, an increase of switching probability is sacrificed by an increase of thermal jitter. Structures utilizing first-order phase transitions breaking the thermal jitter and writability dilemma are discussed.« less

Fuselage Structure Response to Boundary Layer, Tonal Sound, and Jet Noise

NASA Technical Reports Server (NTRS)

Maestrello, L.

2004-01-01

Experiments have been conducted to study the response of curved aluminum and graphite-epoxy fuselage structures to flow and sound loads from turbulent boundary layer, tonal sound, and jet noise. Both structures were the same size. The aluminum structure was reinforced with tear stoppers, while the graphite-epoxy structure was not. The graphite-epoxy structure weighed half as much as the aluminum structure. Spatiotemporal intermittence and chaotic behavior of the structural response was observed, as jet noise and tonal sound interacted with the turbulent boundary layer. The fundamental tone distributed energy to other components via wave interaction with the turbulent boundary layer. The added broadband sound from the jet, with or without a shock, influenced the responses over a wider range of frequencies. Instantaneous spatial correlation indicates small localized spatiotemporal regions of convected waves, while uncorrelated patterns dominate the larger portion of the space. By modifying the geometry of the tear stoppers between panels and frame, the transmitted and reflected waves of the aluminum panels were significantly reduced. The response level of the graphite-epoxy structure was higher, but the noise transmitted was nearly equal to that of the aluminum structure. The fundamental shock mode is between 80 deg and 150 deg and the first harmonic is between 20 deg and 80 deg for the underexpanded supersonic jet impinging on the turbulent boundary layer influencing the structural response. The response of the graphite-epoxy structure due to the fundamental mode of the shock impingement was stabilized by an externally fixed oscillator.

A consistent methodology for optimal shape design of graphene sheets to maximize their fundamental frequencies considering topological defects

NASA Astrophysics Data System (ADS)

Shi, Jin-Xing; Ohmura, Keiichiro; Shimoda, Masatoshi; Lei, Xiao-Wen

2018-07-01

In recent years, shape design of graphene sheets (GSs) by introducing topological defects for enhancing their mechanical behaviors has attracted the attention of scholars. In the present work, we propose a consistent methodology for optimal shape design of GSs using a combination of the molecular mechanics (MM) method, the non-parametric shape optimization method, the phase field crystal (PFC) method, Voronoi tessellation, and molecular dynamics (MD) simulation to maximize their fundamental frequencies. At first, we model GSs as continuum frame models using a link between the MM method and continuum mechanics. Then, we carry out optimal shape design of GSs in fundamental frequency maximization problem based on a developed shape optimization method for frames. However, the obtained optimal shapes of GSs only consisting of hexagonal carbon rings are unstable that do not satisfy the principle of least action, so we relocate carbon atoms on the optimal shapes by introducing topological defects using the PFC method and Voronoi tessellation. At last, we perform the structural relaxation through MD simulation to determine the final optimal shapes of GSs. We design two examples of GSs and the optimal results show that the fundamental frequencies of GSs can be significantly enhanced according to the optimal shape design methodology.

DLP-based 3D metrology by structured light or projected fringe technology for life sciences and industrial metrology

NASA Astrophysics Data System (ADS)

Frankowski, G.; Hainich, R.

2009-02-01

Since the mid-eighties, a fundamental idea for achieving measuring accuracy in projected fringe technology was to consider the projected fringe pattern as an interferogram and evaluate it on the basis of advanced algorithms widely used for phase measuring in real-time interferometry. A fundamental requirement for obtaining a sufficiently high degree of measuring accuracy with this so-called "phase measuring projected fringe technology" is that the projected fringes, analogous to interference fringes, must have a cos2-shaped intensity distribution. Until the mid-nineties, this requirement for the projected fringe pattern measurement technology presented a basic handicap for its wide application in 3D metrology. This situation changed abruptly, when in the nineties Texas Instruments introduced to the market advanced digital light projection on the basis of micro mirror based projection systems, socalled DLP technology, which also facilitated the generation and projection of cos2-shaped intensity and/or fringe patterns. With this DLP technology, which from its original approach was actually oriented towards completely different applications such as multimedia projection, Texas Instruments boosted phase-measuring fringe projection in optical 3D metrology to a worldwide breakthrough both for medical as well as industrial applications. A subject matter of the lecture will be to present the fundamental principles and the resulting advantages of optical 3D metrology based on phase-measuring fringe projection using DLP technology. Further will be presented and discussed applications of the measurement technology in medical engineering and industrial metrology.

Electronic Structure Methods Based on Density Functional Theory

DTIC Science & Technology

2010-01-01

0188 The public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing...chapter in the ASM Handbook , Volume 22A: Fundamentals of Modeling for Metals Processing, 2010. PAO Case Number: 88ABW-2009-3258; Clearance Date: 16 Jul...are represented using a linear combination, or basis, of plane waves. Over time several methods were developed to avoid the large number of planewaves

Heat Transfer Principles in Thermal Calculation of Structures in Fire

PubMed Central

Zhang, Chao; Usmani, Asif

2016-01-01

Structural fire engineering (SFE) is a relatively new interdisciplinary subject, which requires a comprehensive knowledge of heat transfer, fire dynamics and structural analysis. It is predominantly the community of structural engineers who currently carry out most of the structural fire engineering research and design work. The structural engineering curriculum in universities and colleges do not usually include courses in heat transfer and fire dynamics. In some institutions of higher education, there are graduate courses for fire resistant design which focus on the design approaches in codes. As a result, structural engineers who are responsible for structural fire safety and are competent to do their jobs by following the rules specified in prescriptive codes may find it difficult to move toward performance-based fire safety design which requires a deep understanding of both fire and heat. Fire safety engineers, on the other hand, are usually focused on fire development and smoke control, and may not be familiar with the heat transfer principles used in structural fire analysis, or structural failure analysis. This paper discusses the fundamental heat transfer principles in thermal calculation of structures in fire, which might serve as an educational guide for students, engineers and researchers. Insights on problems which are commonly ignored in performance based fire safety design are also presented. PMID:26783379

Torsional Splitting in the Degenerate Vibrational States of (70)Ge(2)H(6): Rotation-Torsion Analysis of the nu(7) and nu(9) Fundamentals.

PubMed

Lattanzi; di Lauro C; Bürger; Mkadmi

2000-09-01

The rotational and torsional structure of the nu(7) and nu(9) degenerate fundamentals of (70)Ge(2)H(6) has been analyzed under high resolution. The torsional structure of both v(7) = 1 and v(9) = 1 states can be fitted by a simple one-parameter formula. The x,y-Coriolis interaction with the parallel nu(5) fundamental was accounted for in the analysis of nu(7). A strong perturbation of the J structure of the E(3s) torsional component of the KDeltaK = -2 subbranches of nu(9) can be explained by the resonance with an E(3s) excited level of the pure torsional manifold. The perturber is centered at 361.58 cm(-1), very close to the value estimated with a barrier height of 285 cm(-1). This confirms that the fundamental torsional wavenumber is close to 103 cm(-1), in good agreement with the "ab initio" prediction. The torsional splittings of all the infrared active degenerate fundamentals, nu(7), nu(8), and nu(9), follow the trend predicted by theory, and have been fitted by exploratory calculations accounting only for the torsional Coriolis-coupling mechanism of all degenerate vibrational fundamentals in several torsional states. This confirms that torsional Coriolis coupling is the dominant mechanism responsible for the decrease of the torsional splitting in the degenerate vibrational states. A higher value of the barrier had to be used for the nu(9) mode. Copyright 2000 Academic Press.

Seismic Waveform Tomography of the Iranian Region

NASA Astrophysics Data System (ADS)

Maggi, A.; Priestley, K.; Jackson, J.

2001-05-01

Surprisingly little is known about the detailed velocity structure of Iran, despite the region's importance in the tectonics of the Middle East. Previous studies have concentrated mainly on fundamental mode surface wave dispersion measurements along isolated paths (e.g.~Asudeh, 1982; Cong & Mitchell, 1998; Ritzwoller et.~al, 1998), and the propagation characteristics of crust and upper mantle body waves (e.g. Hearn & Ni 1994; Rodgers et.~al 1997). We use the partitioned waveform inversion method of Nolet (1990) on several hundred regional waveforms crossing the Iranian region to produce a 3-D seismic velocity map for the crust and upper mantle of the area. The method consists of using long period seismograms from earthquakes with well determined focal mechanisms and depths to constrain 1-D path-averaged shear wave models along regional paths. The constraints imposed on the 1-D models by the seismograms are then combined with independent constraints from other methods (e.g.~Moho depths from reciever function analysis etc.), to solve for the 3-D seismic velocity structure of the region. A dense coverage of fundamental mode rayleigh waves at a period of 100~s ensures good resolution of lithospheric scale structure. We also use 20~s period fundamental mode rayleigh waves and some Pnl wavetrains to make estimates of crustal thickness variations and average crustal velocities. A few deeper events give us some coverage of higher mode rayleigh waves and mantle S waves, which sample to the base of the upper mantle. Our crustal thickness estimates range from 45~km in the southern Zagros mountains, to 40~km in central Iran and 35~km towards the north of the region. We also find inconsistencies between the 1-D models required to fit the vertical and the tranverse seismograms, indicating the presence of anisotropy.

Differences in fundamental and functional properties of HPMC co-processed fillers prepared by fluid-bed coating and spray drying.

PubMed

Dong, QianQian; Zhou, MiaoMiao; Lin, Xiao; Shen, Lan; Feng, Yi

2018-07-01

This study aimed to develop novel co-processed tablet fillers based on the principle of particle engineering for direct compaction and to compare the characteristics of co-processed products obtained by fluid-bed coating and co-spray drying, respectively. Water-soluble mannitol and water-insoluble calcium carbonate were selected as representative fillers for this study. Hydroxypropyl methylcellulose (HPMC), serving as a surface property modifier, was distributed on the surface of primary filler particles via the two co-processing methods. Both fundamental and functional properties of the products were comparatively investigated. The results showed that functional properties of the fillers, like flowability, compactibility, and drug-loading capacity, were effectively improved by both co-processing methods. However, fluid-bed coating showed greater advantages over co-spray drying in some aspects, which was mainly attributed to the remarkable differences in some fundamental properties of co-processed powders, like particle size, surface topology, and particle structure. For example, the more irregular surface and porous structure induced by fluid-bed coating could contribute to better compaction properties and lower lubricant sensitivity due to the increasing contact area and mechanical interlocking between particles under pressure. More effective surface distribution of HPMC during fluid-bed coating was also a contributor. In addition, such a porous agglomerate structure could also reduce the separation of drug and excipients after mixing, resulting in the improvement in drug loading capacity and tablet uniformity. In summary, fluid-bed coating appears to be more promising for co-processing than spray drying in some aspects, and co-processed excipients produced by it have a great prospect for further investigations and development. Copyright © 2018 Elsevier B.V. All rights reserved.

Atomically informed nonlocal semi-discrete variational Peierls-Nabarro model for planar core dislocations

PubMed Central

Liu, Guisen; Cheng, Xi; Wang, Jian; Chen, Kaiguo; Shen, Yao

2017-01-01

Prediction of Peierls stress associated with dislocation glide is of fundamental concern in understanding and designing the plasticity and mechanical properties of crystalline materials. Here, we develop a nonlocal semi-discrete variational Peierls-Nabarro (SVPN) model by incorporating the nonlocal atomic interactions into the semi-discrete variational Peierls framework. The nonlocal kernel is simplified by limiting the nonlocal atomic interaction in the nearest neighbor region, and the nonlocal coefficient is directly computed from the dislocation core structure. Our model is capable of accurately predicting the displacement profile, and the Peierls stress, of planar-extended core dislocations in face-centered cubic structures. Our model could be extended to study more complicated planar-extended core dislocations, such as <110> {111} dislocations in Al-based and Ti-based intermetallic compounds. PMID:28252102

Collaborative research in tunneling and field emission pumped surface wave local oscillators and amplifiers for infrared and submillimeter wavelengths under director's discretionary fund

NASA Technical Reports Server (NTRS)

Gustafson, T. K.

1982-01-01

Progress is reported in work towards the development of surface wave sources for the infrared and sub-millimeter portion of the spectrum to be based upon electron pumping by tunneling electrons in metal-barrier-metal or metal-barrier-semiconductor devices. Tunneling phenomena and the coupling of radiation to tunnel junctions were studied. The propagation characteristics of surface electro-magnetic modes in metal-insulator-p(++) semiconductor structures as a function of frequency were calculated. A model for the gain process based upon Tucker's formalism was developed and used to estimate what low frequency gain might be expected from such structures. The question of gain was addressed from a more fundamental viewpoint using the method of Lasher and Stern.

Polarization modulation based on the hybrid waveguide of graphene sandwiched structure

NASA Astrophysics Data System (ADS)

Yang, Junbo; Chen, Dingbo; Zhang, Jingjing; Zhang, Zhaojian; Huang, Jie

2017-09-01

Polarization beam splitter (PBS) plays an important role to realize beam control and modulation. A novel hybrid structure of graphene sandwiched waveguide is proposed to fulfill polarization manipulation and selection based on the refractive index engineering techniques. The fundamental mode of TM cannot be supported in this case. However, both TE and TM mode are excited and transmitting in the hybrid waveguide if the design parameters, including the waveguide width and the waveguide height, are changed. The incident wavelength largely affects the effective index, which results in supporting/not supporting the TM mode. The proposed design exhibits high extinction ratio, compact in size, flexible to control, compatible with CMOS process, and easy to be integrated with other optoelectronic devices, allowing it to be used in optical communication and optical information processing.

Nanotechnology: Fundamental Principles and Applications

NASA Astrophysics Data System (ADS)

Ranjit, Koodali T.; Klabunde, Kenneth J.

Nanotechnology research is based primarily on molecular manufacturing. Although several definitions have been widely used in the past to describe the field of nanotechnology, it is worthwhile to point out that the National Nanotechnology Initiative (NNI), a federal research and development scheme approved by the congress in 2001 defines nanotechnology only if the following three aspects are involved: (1) research and technology development at the atomic, molecular, or macromolecular levels, in the length scale of approximately 1-100 nanometer range, (2) creating and using structures, devices, and systems that have novel properties and functions because of their small and/or intermediate size, and (3) ability to control or manipulate on the atomic scale. Nanotechnology in essence is the technology based on the manipulation of individual atoms and molecules to build complex structures that have atomic specifications.

Fiber-based wearable electronics: a review of materials, fabrication, devices, and applications.

PubMed

Zeng, Wei; Shu, Lin; Li, Qiao; Chen, Song; Wang, Fei; Tao, Xiao-Ming

2014-08-20

Fiber-based structures are highly desirable for wearable electronics that are expected to be light-weight, long-lasting, flexible, and conformable. Many fibrous structures have been manufactured by well-established lost-effective textile processing technologies, normally at ambient conditions. The advancement of nanotechnology has made it feasible to build electronic devices directly on the surface or inside of single fibers, which have typical thickness of several to tens microns. However, imparting electronic functions to porous, highly deformable and three-dimensional fiber assemblies and maintaining them during wear represent great challenges from both views of fundamental understanding and practical implementation. This article attempts to critically review the current state-of-arts with respect to materials, fabrication techniques, and structural design of devices as well as applications of the fiber-based wearable electronic products. In addition, this review elaborates the performance requirements of the fiber-based wearable electronic products, especially regarding the correlation among materials, fiber/textile structures and electronic as well as mechanical functionalities of fiber-based electronic devices. Finally, discussions will be presented regarding to limitations of current materials, fabrication techniques, devices concerning manufacturability and performance as well as scientific understanding that must be improved prior to their wide adoption. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface-structured bacterial cellulose with guided assembly-based biolithography (GAB).

PubMed

Bottan, Simone; Robotti, Francesco; Jayathissa, Prageeth; Hegglin, Alicia; Bahamonde, Nicolas; Heredia-Guerrero, José A; Bayer, Ilker S; Scarpellini, Alice; Merker, Hannes; Lindenblatt, Nicole; Poulikakos, Dimos; Ferrari, Aldo

2015-01-27

A powerful replica molding methodology to transfer on-demand functional topographies to the surface of bacterial cellulose nanofiber textures is presented. With this method, termed guided assembly-based biolithography (GAB), a surface-structured polydimethylsiloxane (PDMS) mold is introduced at the gas-liquid interface of an Acetobacter xylinum culture. Upon bacterial fermentation, the generated bacterial cellulose nanofibers are assembled in a three-dimensional network reproducing the geometric shape imposed by the mold. Additionally, GAB yields directional alignment of individual nanofibers and memory of the transferred geometrical features upon dehydration and rehydration of the substrates. Scanning electron and atomic force microscopy are used to establish the good fidelity of this facile and affordable method. Interaction of surface-structured bacterial cellulose substrates with human fibroblasts and keratinocytes illustrates the efficient control of cellular activities which are fundamental in skin wound healing and tissue regeneration. The deployment of surface-structured bacterial cellulose substrates in model animals as skin wound dressing or body implant further proves the high durability and low inflammatory response to the material over a period of 21 days, demonstrating beneficial effects of surface structure on skin regeneration.

Development of Advanced Methods of Structural and Trajectory Analysis for Transport Aircraft

NASA Technical Reports Server (NTRS)

Ardema, Mark D.

1996-01-01

In this report the author describes: (1) development of advanced methods of structural weight estimation, and (2) development of advanced methods of flight path optimization. A method of estimating the load-bearing fuselage weight and wing weight of transport aircraft based on fundamental structural principles has been developed. This method of weight estimation represents a compromise between the rapid assessment of component weight using empirical methods based on actual weights of existing aircraft and detailed, but time-consuming, analysis using the finite element method. The method was applied to eight existing subsonic transports for validation and correlation. Integration of the resulting computer program, PDCYL, has been made into the weights-calculating module of the AirCraft SYNThesis (ACSYNT) computer program. ACSYNT bas traditionally used only empirical weight estimation methods; PDCYL adds to ACSYNT a rapid, accurate means of assessing the fuselage and wing weights of unconventional aircraft. PDCYL also allows flexibility in the choice of structural concept, as well as a direct means of determining the impact of advanced materials on structural weight.

Identify Structural Flaw Location and Type with an Inverse Algorithm of Resonance Inspection

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

Xu, Wei; Lai, Canhai; Sun, Xin

To evaluate the fitness-for-service of a structural component and to quantify its remaining useful life, aging and service-induced structural flaws must be quantitatively determined in service or during scheduled maintenance shutdowns. Resonance inspection (RI), a non-destructive evaluation (NDE) technique, distinguishes the anomalous parts from the good parts based on changes in the natural frequency spectra. Known for its numerous advantages, i.e., low inspection cost, high testing speed, and broad applicability to complex structures, RI has been widely used in the automobile industry for quality inspection. However, compared to other contemporary direct visualization-based NDE methods, a more widespread application of RImore » faces a fundamental challenge because such technology is unable to quantify the flaw details, e.g. location, dimensions, and types. In this study, the applicability of a maximum correlation-based inverse RI algorithm developed by the authors is further studied for various flaw cases. It is demonstrated that a variety of common structural flaws, i.e. stiffness degradation, voids, and cracks, can be accurately retrieved by this algorithm even when multiple different types of flaws coexist. The quantitative relations between the damage identification results and the flaw characteristics are also developed to assist the evaluation of the actual state of health of the engineering structures.« less

Visualizing spatial correlation: structural and electronic orders in iron-based superconductors on atomic scale

NASA Astrophysics Data System (ADS)

Maksov, Artem; Ziatdinov, Maxim; Li, Li; Sefat, Athena; Maksymovych, Petro; Kalinin, Sergei

Crystalline matter on the nanoscale level often exhibits strongly inhomogeneous structural and electronic orders, which have a profound effect on macroscopic properties. This may be caused by subtle interplay between chemical disorder, strain, magnetic, and structural order parameters. We present a novel approach based on combination of high resolution scanning tunneling microscopy/spectroscopy (STM/S) and deep data style analysis for automatic separation, extraction, and correlation of structural and electronic behavior which might lead us to uncovering the underlying sources of inhomogeneity in in iron-based family of superconductors (FeSe, BaFe2As2) . We identify STS spectral features using physically robust Bayesian linear unmixing, and show their direct relevance to the fundamental physical properties of the system, including electronic states associated with individual defects and impurities. We collect structural data from individual unit cells on the crystalline lattice, and calculate both global and local indicators of spatial correlation with electronic features, demonstrating, for the first time, a direct quantifiable connection between observed structural order parameters extracted from the STM data and electronic order parameters identified within the STS data. This research was sponsored by the Division of Materials Sciences and Engineering, Office of Science, Basic Energy Sciences, US DOE.

Chemical space visualization: transforming multidimensional chemical spaces into similarity-based molecular networks.

PubMed

de la Vega de León, Antonio; Bajorath, Jürgen

2016-09-01

The concept of chemical space is of fundamental relevance for medicinal chemistry and chemical informatics. Multidimensional chemical space representations are coordinate-based. Chemical space networks (CSNs) have been introduced as a coordinate-free representation. A computational approach is presented for the transformation of multidimensional chemical space into CSNs. The design of transformation CSNs (TRANS-CSNs) is based upon a similarity function that directly reflects distance relationships in original multidimensional space. TRANS-CSNs provide an immediate visualization of coordinate-based chemical space and do not require the use of dimensionality reduction techniques. At low network density, TRANS-CSNs are readily interpretable and make it possible to evaluate structure-activity relationship information originating from multidimensional chemical space.

Coronal mass ejections and their sheath regions in interplanetary space

NASA Astrophysics Data System (ADS)

Kilpua, Emilia; Koskinen, Hannu E. J.; Pulkkinen, Tuija I.

2017-11-01

Interplanetary coronal mass ejections (ICMEs) are large-scale heliospheric transients that originate from the Sun. When an ICME is sufficiently faster than the preceding solar wind, a shock wave develops ahead of the ICME. The turbulent region between the shock and the ICME is called the sheath region. ICMEs and their sheaths and shocks are all interesting structures from the fundamental plasma physics viewpoint. They are also key drivers of space weather disturbances in the heliosphere and planetary environments. ICME-driven shock waves can accelerate charged particles to high energies. Sheaths and ICMEs drive practically all intense geospace storms at the Earth, and they can also affect dramatically the planetary radiation environments and atmospheres. This review focuses on the current understanding of observational signatures and properties of ICMEs and the associated sheath regions based on five decades of studies. In addition, we discuss modelling of ICMEs and many fundamental outstanding questions on their origin, evolution and effects, largely due to the limitations of single spacecraft observations of these macro-scale structures. We also present current understanding of space weather consequences of these large-scale solar wind structures, including effects at the other Solar System planets and exoplanets. We specially emphasize the different origin, properties and consequences of the sheaths and ICMEs.

Drawing lithography for microneedles: a review of fundamentals and biomedical applications.

PubMed

Lee, Kwang; Jung, Hyungil

2012-10-01

A microneedle is a three-dimensional (3D) micromechanical structure and has been in the spotlight recently as a drug delivery system (DDS). Because a microneedle delivers the target drug after penetrating the skin barrier, the therapeutic effects of microneedles proceed from its 3D structural geometry. Various types of microneedles have been fabricated using subtractive micromanufacturing methods which are based on the inherently planar two-dimensional (2D) geometries. However, traditional subtractive processes are limited for flexible structural microneedles and makes functional biomedical applications for efficient drug delivery difficult. The authors of the present study propose drawing lithography as a unique additive process for the fabrication of a microneedle directly from 2D planar substrates, thus overcoming a subtractive process shortcoming. The present article provides the first overview of the principal drawing lithography technology: fundamentals and biomedical applications. The continuous drawing technique for an ultrahigh-aspect ratio (UHAR) hollow microneedle, stepwise controlled drawing technique for a dissolving microneedle, and drawing technique with antidromic isolation for a hybrid electro-microneedle (HEM) are reviewed, and efficient biomedical applications by drawing lithography-mediated microneedles as an innovative drug and gene delivery system are described. Drawing lithography herein can provide a great breakthrough in the development of materials science and biotechnology. Copyright © 2012 Elsevier Ltd. All rights reserved.

Real-time Monitoring Of Damage Evolution In Aerospace Materials Using Nonlinear Acoustics

NASA Astrophysics Data System (ADS)

Matikas, T. E.; Paipetis, A.; Kostopoulos, V.

2008-06-01

This work deals with the development of a novel non-destructive technique based on nonlinear acoustics, enabling real-time monitoring of material degradation in aerospace structures. When a sinusoidal ultrasonic wave of a given frequency and of sufficient amplitude is introduced into a nonlinear or an-harmonic solid, the fundamental wave distorts as it propagates, so that the second and higher harmonics of the fundamental frequency are generated. The measurement of the amplitude of these harmonics provides information on the coefficient of the second and higher order terms of the stress-strain relation for a nonlinear solid. It is demonstrated here that the material bulk nonlinear parameter for titanium alloy samples at different fatigue levels exhibits large changes compared to linear ultrasonic parameters such as velocity and attenuation. However, the use of bulk ultrasonic waves has serious disadvantages for the health monitoring of aerospace structures since it requires the placement of ultrasonic transducers on two, perfectly parallel, opposite sides of the samples. Such a setup is hardly feasible in real field conditions. For this reason, surface acoustic waves (SAW) were used in this study enabling the in-situ characterization of fatigue damage. The experimental setup for measuring the material nonlinear parameter using SAW was realised and the feasibility of the technique for health monitoring of aerospace structures was evaluated.

Two's company, three (or more) is a simplex : Algebraic-topological tools for understanding higher-order structure in neural data.

PubMed

Giusti, Chad; Ghrist, Robert; Bassett, Danielle S

2016-08-01

The language of graph theory, or network science, has proven to be an exceptional tool for addressing myriad problems in neuroscience. Yet, the use of networks is predicated on a critical simplifying assumption: that the quintessential unit of interest in a brain is a dyad - two nodes (neurons or brain regions) connected by an edge. While rarely mentioned, this fundamental assumption inherently limits the types of neural structure and function that graphs can be used to model. Here, we describe a generalization of graphs that overcomes these limitations, thereby offering a broad range of new possibilities in terms of modeling and measuring neural phenomena. Specifically, we explore the use of simplicial complexes: a structure developed in the field of mathematics known as algebraic topology, of increasing applicability to real data due to a rapidly growing computational toolset. We review the underlying mathematical formalism as well as the budding literature applying simplicial complexes to neural data, from electrophysiological recordings in animal models to hemodynamic fluctuations in humans. Based on the exceptional flexibility of the tools and recent ground-breaking insights into neural function, we posit that this framework has the potential to eclipse graph theory in unraveling the fundamental mysteries of cognition.

Experimental validation of non-uniformity effect of the radial electric field on the edge transport barrier formation in JT-60U H-mode plasmas

PubMed Central

Kamiya, K.; Itoh, K.; Itoh, S.-I.

2016-01-01

The turbulent structure formation, where strongly-inhomogeneous turbulence and global electromagnetic fields are self-organized, is a fundamental mechanism that governs the evolution of high-temperature plasmas in the universe and laboratory (e.g., the generation of edge transport barrier (ETB) of the H-mode in the toroidal plasmas). The roles of inhomogeneities of radial electric field (Er) are known inevitable. In this mechanism, whether the first derivative of Er (shear) or the second derivative of Er (curvature) works most is decisive in determining the class of nontrivial solutions (which describe the barrier structure). Here we report the experimental identification of the essential role of the Er-curvature on the ETB formation, for the first time, based on the high-spatiotemporal resolution spectroscopic measurement. We found the decisive importance of Er-curvature on ETB formation during ELM-free phase, but there is only a low correlation with the Er-shear value at the peak of normalized ion temperature gradient. Furthermore, in the ELMing phase, the effect of curvature is also quantified in terms of the relationship between pedestal width and thickness of the layer of inhomogeneous Er. This is the fundamental basis to understand the structure of transport barriers in fusion plasmas. PMID:27480931

Model-based Executive Control through Reactive Planning for Autonomous Rovers

NASA Technical Reports Server (NTRS)

Finzi, Alberto; Ingrand, Felix; Muscettola, Nicola

2004-01-01

This paper reports on the design and implementation of a real-time executive for a mobile rover that uses a model-based, declarative approach. The control system is based on the Intelligent Distributed Execution Architecture (IDEA), an approach to planning and execution that provides a unified representational and computational framework for an autonomous agent. The basic hypothesis of IDEA is that a large control system can be structured as a collection of interacting agents, each with the same fundamental structure. We show that planning and real-time response are compatible if the executive minimizes the size of the planning problem. We detail the implementation of this approach on an exploration rover (Gromit an RWI ATRV Junior at NASA Ames) presenting different IDEA controllers of the same domain and comparing them with more classical approaches. We demonstrate that the approach is scalable to complex coordination of functional modules needed for autonomous navigation and exploration.

The Topology of a Local Trade Web and Impacts of the us Financial Crisis

NASA Astrophysics Data System (ADS)

Feng, Xiaobing; Hu, Haibo; Wang, Xiaofan

In this paper a local trade web (LTW) in the Asia-Pacific region is examined using the data derived from the United Nations and the International Monetary Fund. The topology of the LTW has been specified, based upon which the impacts of US financial crisis on the structural and behavior pattern of the LTW are further investigated. The major findings are given as follows. Firstly, the LTW is much more integrated than the global trade web; secondly, after the financial crisis, the fundamental structure of the network remains relatively stable but the strength of the web has been changed and the structure of the web has evolved over time. Economic implications for what have been observed are also discussed.

On the shape and orientation control of an orbiting shallow spherical shell structure

NASA Technical Reports Server (NTRS)

Bainum, P. M.; Reddy, A. S. S. R.

1982-01-01

The dynamics of orbiting shallow flexible spherical shell structures under the influence of control actuators was studied. Control laws are developed to provide both attitude and shape control of the structure. The elastic modal frequencies for the fundamental and lower modes are closely grouped due to the effect of the shell curvature. The shell is gravity stabilized by a spring loaded dumbbell type damper attached at its apex. Control laws are developed based on the pole clustering techniques. Savings in fuel consumption can be realized by using the hybrid shell dumbbell system together with point actuators. It is indicated that instability may result by not including the orbital and first order gravity gradient effects in the plant prior to control law design.

Chemical graphs, molecular matrices and topological indices in chemoinformatics and quantitative structure-activity relationships.

PubMed

Ivanciuc, Ovidiu

2013-06-01

Chemical and molecular graphs have fundamental applications in chemoinformatics, quantitative structureproperty relationships (QSPR), quantitative structure-activity relationships (QSAR), virtual screening of chemical libraries, and computational drug design. Chemoinformatics applications of graphs include chemical structure representation and coding, database search and retrieval, and physicochemical property prediction. QSPR, QSAR and virtual screening are based on the structure-property principle, which states that the physicochemical and biological properties of chemical compounds can be predicted from their chemical structure. Such structure-property correlations are usually developed from topological indices and fingerprints computed from the molecular graph and from molecular descriptors computed from the three-dimensional chemical structure. We present here a selection of the most important graph descriptors and topological indices, including molecular matrices, graph spectra, spectral moments, graph polynomials, and vertex topological indices. These graph descriptors are used to define several topological indices based on molecular connectivity, graph distance, reciprocal distance, distance-degree, distance-valency, spectra, polynomials, and information theory concepts. The molecular descriptors and topological indices can be developed with a more general approach, based on molecular graph operators, which define a family of graph indices related by a common formula. Graph descriptors and topological indices for molecules containing heteroatoms and multiple bonds are computed with weighting schemes based on atomic properties, such as the atomic number, covalent radius, or electronegativity. The correlation in QSPR and QSAR models can be improved by optimizing some parameters in the formula of topological indices, as demonstrated for structural descriptors based on atomic connectivity and graph distance.

Effective Moment Feature Vectors for Protein Domain Structures

PubMed Central

Shi, Jian-Yu; Yiu, Siu-Ming; Zhang, Yan-Ning; Chin, Francis Yuk-Lun

2013-01-01

Imaging processing techniques have been shown to be useful in studying protein domain structures. The idea is to represent the pairwise distances of any two residues of the structure in a 2D distance matrix (DM). Features and/or submatrices are extracted from this DM to represent a domain. Existing approaches, however, may involve a large number of features (100–400) or complicated mathematical operations. Finding fewer but more effective features is always desirable. In this paper, based on some key observations on DMs, we are able to decompose a DM image into four basic binary images, each representing the structural characteristics of a fundamental secondary structure element (SSE) or a motif in the domain. Using the concept of moments in image processing, we further derive 45 structural features based on the four binary images. Together with 4 features extracted from the basic images, we represent the structure of a domain using 49 features. We show that our feature vectors can represent domain structures effectively in terms of the following. (1) We show a higher accuracy for domain classification. (2) We show a clear and consistent distribution of domains using our proposed structural vector space. (3) We are able to cluster the domains according to our moment features and demonstrate a relationship between structural variation and functional diversity. PMID:24391828

Fundamental Vocabulary Selection Based on Word Familiarity

NASA Astrophysics Data System (ADS)

Sato, Hiroshi; Kasahara, Kaname; Kanasugi, Tomoko; Amano, Shigeaki

This paper proposes a new method for selecting fundamental vocabulary. We are presently constructing the Fundamental Vocabulary Knowledge-base of Japanese that contains integrated information on syntax, semantics and pragmatics, for the purposes of advanced natural language processing. This database mainly consists of a lexicon and a treebank: Lexeed (a Japanese Semantic Lexicon) and the Hinoki Treebank. Fundamental vocabulary selection is the first step in the construction of Lexeed. The vocabulary should include sufficient words to describe general concepts for self-expandability, and should not be prohibitively large to construct and maintain. There are two conventional methods for selecting fundamental vocabulary. The first is intuition-based selection by experts. This is the traditional method for making dictionaries. A weak point of this method is that the selection strongly depends on personal intuition. The second is corpus-based selection. This method is superior in objectivity to intuition-based selection, however, it is difficult to compile a sufficiently balanced corpora. We propose a psychologically-motivated selection method that adopts word familiarity as the selection criterion. Word familiarity is a rating that represents the familiarity of a word as a real number ranging from 1 (least familiar) to 7 (most familiar). We determined the word familiarity ratings statistically based on psychological experiments over 32 subjects. We selected about 30,000 words as the fundamental vocabulary, based on a minimum word familiarity threshold of 5. We also evaluated the vocabulary by comparing its word coverage with conventional intuition-based and corpus-based selection over dictionary definition sentences and novels, and demonstrated the superior coverage of our lexicon. Based on this, we conclude that the proposed method is superior to conventional methods for fundamental vocabulary selection.

Functional nanometer-scale structures

NASA Astrophysics Data System (ADS)

Chan, Tsz On Mario

Nanometer-scale structures have properties that are fundamentally different from their bulk counterparts. Much research effort has been devoted in the past decades to explore new fabrication techniques, model the physical properties of these structures, and construct functional devices. The ability to manipulate and control the structure of matter at the nanoscale has made many new classes of materials available for the study of fundamental physical processes and potential applications. The interplay between fabrication techniques and physical understanding of the nanostructures and processes has revolutionized the physical and material sciences, providing far superior properties in materials for novel applications that benefit society. This thesis consists of two major aspects of my graduate research in nano-scale materials. In the first part (Chapters 3--6), a comprehensive study on the nanostructures based on electrospinning and thermal treatment is presented. Electrospinning is a well-established method for producing high-aspect-ratio fibrous structures, with fiber diameter ranging from 1 nm--1 microm. A polymeric solution is typically used as a precursor in electrospinning. In our study, the functionality of the nanostructure relies on both the nanostructure and material constituents. Metallic ions containing precursors were added to the polymeric precursor following a sol-gel process to prepare the solution suitable for electrospinning. A typical electrospinning process produces as-spun fibers containing both polymer and metallic salt precursors. Subsequent thermal treatments of the as-spun fibers were carried out in various conditions to produce desired structures. In most cases, polymer in the solution and the as-spun fibers acted as a backbone for the structure formation during the subsequent heat treatment, and were thermally removed in the final stage. Polymers were also designed to react with the metallic ion precursors during heat treatment in some cases, which led to desired chemical phase formation. The residue of polymer thermal decomposition was also controlled and utilized for certain functionality in some nanostructures. Throughout this study, we successfully fabricated several novel functional structures and revealed a new formation mechanism of metal/metal oxide nanotubes. The magnetic and electrical properties of these nanostructures were studied and optimized for applications in soft magnetic materials and spintronics devices. In the second part, (Chapter 7) a study on memristive switching devices with magnetron-sputtered metal-semiconductor-metal thin film structures based on ZnO is presented. Resistive random access memory (RRAM) is a new, non-volatile memory based on the memristor effect theoretically predicted by Leon Chua in 1971 and first experimentally demonstrated by Hewlett Packard in 2008. The unit cell of a RRAM (a memristor) is a two-terminal device in which the switching medium is sandwiched between the top and bottom electrodes and the resistance of the switching medium can be modulated by applying an electrical signal (current or voltage) to the electrodes. On the other hand, the significance of a memristor, as the fourth element of circuit elements besides resistor, capacitor and inductor, is not limited to just being a candidate for next-generation memory. Owing to the unique i-v characteristics of non-linear memristors that cannot be duplicated with any combinations of the other three basic elements in a passive circuitry, many new electrical functions are being developed based on the memristors. In our study, various contact electrode combinations and semiconductor doping profiles were utilized to achieve different functional resistive switching behaviors and to help fundamentally understand the underlying switching mechanisms in ZnO-based thin film structures. Two distinctive switching mechanisms (ferroelectric charge-induced resistive switching and dopant-induced filament-type resistive switching) have been identified in specified structures. Among them, the ferroelectric charge induced resistive switching is new to the existing mechanisms; and the crucial role of the electrode oxide layer in the filament type resistive switching was reported for the first time. Based on these studies, a unique structure that is believed to combine the two competing switching mechanisms was demonstrated. The new memory structure acts like a complimentary resistive switching memory (CRS) that is designed to eliminate the cross-talk issue in RRAM.

PROBABILISTIC PROGRAMMING FOR ADVANCED MACHINE LEARNING (PPAML) DISCRIMINATIVE LEARNING FOR GENERATIVE TASKS (DILIGENT)

DTIC Science & Technology

2017-11-29

Structural connections of the frames (fragments) in the knowledge. We call the fundamental elements of the knowledge a limited number of elements...the result of contracted fundamental research deemed exempt from public affairs security and policy review in accordance with SAF/AQR memorandum dated...AVAILABILITY STATEMENT Approved for Public Release; Distribution Unlimited. This report is the result of contracted fundamental research deemed exempt from

Spying on the neighbors' pool

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

Xantheas, S. S.

2016-12-01

The structure and properties of the aqueous proton is of fundamental interest in many areas of chemistry and biology. Acids and bases are molecules that are able to transfer (donate / accept) a proton according to Brønsted and Lowry, a process that was further explained by Lewis in terms of changes in their electronic structure in an attempt to offer a generalization of the Arrhenius theory. Simple proton transfers or the ones coupled to an electron transfer determine speciation, valence and reactivity in aqueous media and explain electrochemical processes, while voltage-gated proton channels have severe implications to the function ofmore » a number of tissues and species.« less

Non-linear coherent mode interactions and the control of shear layers

NASA Technical Reports Server (NTRS)

Nikitopoulos, D. E.; Liu, J. T. C.

1990-01-01

A nonlinear integral formulation, based on local linear stability considerations, is used to study the collective interactions between discrete wave-modes associated with large-scale structures and the mean flow in a developing shear layer. Aspects of shear layer control are examined in light of the sensitivity of these interactions to the initial frequency parameter, modal energy contents and modal phases. Manipulation of the large-scale structure is argued to be an effective means of controlling the flow, including the small-scale turbulence dominated region far downstream. Cases of fundamental, 1st and 2nd subharmonic forcing are discussed in conjunction with relevant experiments.

Reasoning methods in medical consultation systems: artificial intelligence approaches.

PubMed

Shortliffe, E H

1984-01-01

It has been argued that the problem of medical diagnosis is fundamentally ill-structured, particularly during the early stages when the number of possible explanations for presenting complaints can be immense. This paper discusses the process of clinical hypothesis evocation, contrasts it with the structured decision making approaches used in traditional computer-based diagnostic systems, and briefly surveys the more open-ended reasoning methods that have been used in medical artificial intelligence (AI) programs. The additional complexity introduced when an advice system is designed to suggest management instead of (or in addition to) diagnosis is also emphasized. Example systems are discussed to illustrate the key concepts.

A systematic multiscale modeling and experimental approach to protect grain boundaries in magnesium alloys from corrosion

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

Horstemeyer, Mark R.; Chaudhuri, Santanu

2015-09-30

A multiscale modeling Internal State Variable (ISV) constitutive model was developed that captures the fundamental structure-property relationships. The macroscale ISV model used lower length scale simulations (Butler-Volmer and Electronics Structures results) in order to inform the ISVs at the macroscale. The chemomechanical ISV model was calibrated and validated from experiments with magnesium (Mg) alloys that were investigated under corrosive environments coupled with experimental electrochemical studies. Because the ISV chemomechanical model is physically based, it can be used for other material systems to predict corrosion behavior. As such, others can use the chemomechanical model for analyzing corrosion effects on their designs.

Structure and specificity of FEN-1 from Methanopyrus kandleri

DOE PAGES

Shah, Santosh; Dunten, Pete; Stiteler, Amanda; ...

2014-11-18

DNA repair is fundamental to genome stability and is found in all three domains of life. However, many archaeal species, such as Methanopyrus kandleri, contain only a subset of the eukaryotic nucleotide excision repair (NER) homologues, and those present often contain significant differences compared to their eukaryotic homologues. To clarify the role of the NER XPG-like protein Mk0566 from M. kandleri, its biochemical activity and three dimensional structure were investigated. Ultimately, we found both to be more similar to human FEN-1 than human XPG, suggesting a biological role in replication and long-patch base excision repair rather than in NER.

K-Partite RNA Secondary Structures

NASA Astrophysics Data System (ADS)

Jiang, Minghui; Tejada, Pedro J.; Lasisi, Ramoni O.; Cheng, Shanhong; Fechser, D. Scott

RNA secondary structure prediction is a fundamental problem in structural bioinformatics. The prediction problem is difficult because RNA secondary structures may contain pseudoknots formed by crossing base pairs. We introduce k-partite secondary structures as a simple classification of RNA secondary structures with pseudoknots. An RNA secondary structure is k-partite if it is the union of k pseudoknot-free sub-structures. Most known RNA secondary structures are either bipartite or tripartite. We show that there exists a constant number k such that any secondary structure can be modified into a k-partite secondary structure with approximately the same free energy. This offers a partial explanation of the prevalence of k-partite secondary structures with small k. We give a complete characterization of the computational complexities of recognizing k-partite secondary structures for all k ≥ 2, and show that this recognition problem is essentially the same as the k-colorability problem on circle graphs. We present two simple heuristics, iterated peeling and first-fit packing, for finding k-partite RNA secondary structures. For maximizing the number of base pair stackings, our iterated peeling heuristic achieves a constant approximation ratio of at most k for 2 ≤ k ≤ 5, and at most frac6{1-(1-6/k)^k} le frac6{1-e^{-6}} < 6.01491 for k ≥ 6. Experiment on sequences from PseudoBase shows that our first-fit packing heuristic outperforms the leading method HotKnots in predicting RNA secondary structures with pseudoknots. Source code, data set, and experimental results are available at http://www.cs.usu.edu/ mjiang/rna/kpartite/.

Statistical potential-based amino acid similarity matrices for aligning distantly related protein sequences.

PubMed

Tan, Yen Hock; Huang, He; Kihara, Daisuke

2006-08-15

Aligning distantly related protein sequences is a long-standing problem in bioinformatics, and a key for successful protein structure prediction. Its importance is increasing recently in the context of structural genomics projects because more and more experimentally solved structures are available as templates for protein structure modeling. Toward this end, recent structure prediction methods employ profile-profile alignments, and various ways of aligning two profiles have been developed. More fundamentally, a better amino acid similarity matrix can improve a profile itself; thereby resulting in more accurate profile-profile alignments. Here we have developed novel amino acid similarity matrices from knowledge-based amino acid contact potentials. Contact potentials are used because the contact propensity to the other amino acids would be one of the most conserved features of each position of a protein structure. The derived amino acid similarity matrices are tested on benchmark alignments at three different levels, namely, the family, the superfamily, and the fold level. Compared to BLOSUM45 and the other existing matrices, the contact potential-based matrices perform comparably in the family level alignments, but clearly outperform in the fold level alignments. The contact potential-based matrices perform even better when suboptimal alignments are considered. Comparing the matrices themselves with each other revealed that the contact potential-based matrices are very different from BLOSUM45 and the other matrices, indicating that they are located in a different basin in the amino acid similarity matrix space.

Control of Flexible Structures (COFS) Flight Experiment Background and Description

NASA Technical Reports Server (NTRS)

Hanks, B. R.

1985-01-01

A fundamental problem in designing and delivering large space structures to orbit is to provide sufficient structural stiffness and static configuration precision to meet performance requirements. These requirements are directly related to control requirements and the degree of control system sophistication available to supplement the as-built structure. Background and rationale are presented for a research study in structures, structural dynamics, and controls using a relatively large, flexible beam as a focus. This experiment would address fundamental problems applicable to large, flexible space structures in general and would involve a combination of ground tests, flight behavior prediction, and instrumented orbital tests. Intended to be multidisciplinary but basic within each discipline, the experiment should provide improved understanding and confidence in making design trades between structural conservatism and control system sophistication for meeting static shape and dynamic response/stability requirements. Quantitative results should be obtained for use in improving the validity of ground tests for verifying flight performance analyses.

Metagenomic analysis of the microbiota in the highly compartmented hindguts of six wood- or soil-feeding higher termites

DOE PAGES

Rossmassler, Karen; Dietrich, Carsten; Thompson, Claire; ...

2015-11-26

Termites are important contributors to carbon and nitrogen cycling in tropical ecosystems. Higher termites digest lignocellulose in various stages of humification with the help of an entirely prokaryotic microbiota housed in their compartmented intestinal tract. Previous studies revealed fundamental differences in community structure between compartments, but the functional roles of individual lineages in symbiotic digestion are mostly unknown. Furthermore, we conducted a highly resolved analysis of the gut microbiota in six species of higher termites that feed on plant material at different levels of humification. Combining amplicon sequencing and metagenomics, we assessed similarities in community structure and functional potential betweenmore » the major hindgut compartments (P1, P3, and P4). Cluster analysis of the relative abundances of orthologous gene clusters (COGs) revealed high similarities among woodand litter-feeding termites and strong differences to humivorous species. However, abundance estimates of bacterial phyla based on 16S rRNA genes greatly differed from those based on protein-coding genes. In conclusion, the community structure and functional potential of the microbiota in individual gut compartments are clearly driven by the digestive strategy of the host. The metagenomics libraries obtained in this study provide the basis for future studies that elucidate the fundamental differences in the symbiont-mediated breakdown of lignocellulose and humus by termites of different feeding groups. The high proportion of uncultured bacterial lineages in all samples calls for a reference-independent approach for the correct taxonomic assignment of protein-coding genes.« less

Metagenomic analysis of the microbiota in the highly compartmented hindguts of six wood- or soil-feeding higher termites

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

Rossmassler, Karen; Dietrich, Carsten; Thompson, Claire

Termites are important contributors to carbon and nitrogen cycling in tropical ecosystems. Higher termites digest lignocellulose in various stages of humification with the help of an entirely prokaryotic microbiota housed in their compartmented intestinal tract. Previous studies revealed fundamental differences in community structure between compartments, but the functional roles of individual lineages in symbiotic digestion are mostly unknown. Furthermore, we conducted a highly resolved analysis of the gut microbiota in six species of higher termites that feed on plant material at different levels of humification. Combining amplicon sequencing and metagenomics, we assessed similarities in community structure and functional potential betweenmore » the major hindgut compartments (P1, P3, and P4). Cluster analysis of the relative abundances of orthologous gene clusters (COGs) revealed high similarities among woodand litter-feeding termites and strong differences to humivorous species. However, abundance estimates of bacterial phyla based on 16S rRNA genes greatly differed from those based on protein-coding genes. In conclusion, the community structure and functional potential of the microbiota in individual gut compartments are clearly driven by the digestive strategy of the host. The metagenomics libraries obtained in this study provide the basis for future studies that elucidate the fundamental differences in the symbiont-mediated breakdown of lignocellulose and humus by termites of different feeding groups. The high proportion of uncultured bacterial lineages in all samples calls for a reference-independent approach for the correct taxonomic assignment of protein-coding genes.« less

A hybrid computational-experimental approach for automated crystal structure solution

NASA Astrophysics Data System (ADS)

Meredig, Bryce; Wolverton, C.

2013-02-01

Crystal structure solution from diffraction experiments is one of the most fundamental tasks in materials science, chemistry, physics and geology. Unfortunately, numerous factors render this process labour intensive and error prone. Experimental conditions, such as high pressure or structural metastability, often complicate characterization. Furthermore, many materials of great modern interest, such as batteries and hydrogen storage media, contain light elements such as Li and H that only weakly scatter X-rays. Finally, structural refinements generally require significant human input and intuition, as they rely on good initial guesses for the target structure. To address these many challenges, we demonstrate a new hybrid approach, first-principles-assisted structure solution (FPASS), which combines experimental diffraction data, statistical symmetry information and first-principles-based algorithmic optimization to automatically solve crystal structures. We demonstrate the broad utility of FPASS to clarify four important crystal structure debates: the hydrogen storage candidates MgNH and NH3BH3; Li2O2, relevant to Li-air batteries; and high-pressure silane, SiH4.

Periodic nanostructural materials for nanoplasmonics

NASA Astrophysics Data System (ADS)

Choi, Dukhyun

2017-02-01

Nanoscale periodic material design and fabrication are essentially fundamental requirement for basic scientific researches and industrial applications of nanoscience and engineering. Innovative, effective, reproducible, large-area uniform, tunable and robust nanostructure/material syntheses are still challenging. Here, I would like to introduce the novel periodic nanostructural materials particularly with uniformly ordered nanoporous or nanoflower structures, which are fabricated by simple, cost-effective, and high-throughput wet chemical methods. I also report large-area periodic plasmonic nanostructures based on template-based nanolithography. The surface morphology and optical properties are characterized by SEM and UV-vis. spectroscopy. Furthermore, their enhancement factor is evaluated by using SERS signals.

G-Quadruplexes in DNA Replication: A Problem or a Necessity?

PubMed

Valton, Anne-Laure; Prioleau, Marie-Noëlle

2016-11-01

DNA replication is a highly regulated process that ensures the correct duplication of the genome at each cell cycle. A precise cell type-specific temporal program controls the duplication of complex vertebrate genomes in an orderly manner. This program is based on the regulation of both replication origin firing and replication fork progression. G-quadruplexes (G4s), DNA secondary structures displaying noncanonical Watson-Crick base pairing, have recently emerged as key controllers of genome duplication. Here we discuss the various means by which G4s affect this fundamental cellular process. Copyright © 2016 Elsevier Ltd. All rights reserved.

Beyond vertical integration--Community based medical education.

PubMed

Kennedy, Emma Margaret

2006-11-01

The term 'vertical integration' is used broadly in medical education, sometimes when discussing community based medical education (CBME). This article examines the relevance of the term 'vertical integration' and provides an alternative perspective on the complexities of facilitating the CBME process. The principles of learner centredness, patient centredness and flexibility are fundamental to learning in the diverse contexts of 'community'. Vertical integration as a structural concept is helpful for academic organisations but has less application to education in the community setting; a different approach illuminates the strengths and challenges of CBME that need consideration by these organisations.

Data-driven multi-scale multi-physics models to derive process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Lian, Yanping; Yu, Cheng; Liu, Zeliang; Yan, Jinhui; Wolff, Sarah; Wu, Hao; Ndip-Agbor, Ebot; Mozaffar, Mojtaba; Ehmann, Kornel; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-05-01

Additive manufacturing (AM) possesses appealing potential for manipulating material compositions, structures and properties in end-use products with arbitrary shapes without the need for specialized tooling. Since the physical process is difficult to experimentally measure, numerical modeling is a powerful tool to understand the underlying physical mechanisms. This paper presents our latest work in this regard based on comprehensive material modeling of process-structure-property relationships for AM materials. The numerous influencing factors that emerge from the AM process motivate the need for novel rapid design and optimization approaches. For this, we propose data-mining as an effective solution. Such methods—used in the process-structure, structure-properties and the design phase that connects them—would allow for a design loop for AM processing and materials. We hope this article will provide a road map to enable AM fundamental understanding for the monitoring and advanced diagnostics of AM processing.

Data-driven multi-scale multi-physics models to derive process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Lian, Yanping; Yu, Cheng; Liu, Zeliang; Yan, Jinhui; Wolff, Sarah; Wu, Hao; Ndip-Agbor, Ebot; Mozaffar, Mojtaba; Ehmann, Kornel; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-01-01

Additive manufacturing (AM) possesses appealing potential for manipulating material compositions, structures and properties in end-use products with arbitrary shapes without the need for specialized tooling. Since the physical process is difficult to experimentally measure, numerical modeling is a powerful tool to understand the underlying physical mechanisms. This paper presents our latest work in this regard based on comprehensive material modeling of process-structure-property relationships for AM materials. The numerous influencing factors that emerge from the AM process motivate the need for novel rapid design and optimization approaches. For this, we propose data-mining as an effective solution. Such methods—used in the process-structure, structure-properties and the design phase that connects them—would allow for a design loop for AM processing and materials. We hope this article will provide a road map to enable AM fundamental understanding for the monitoring and advanced diagnostics of AM processing.

Protocols for self-assembly and imaging of DNA nanostructures.

PubMed

Sobey, Thomas L; Simmel, Friedrich C

2011-01-01

Programed molecular structures allow us to research and make use of physical, chemical, and biological effects at the nanoscale. They are an example of the "bottom-up" approach to nanotechnology, with structures forming through self-assembly. DNA is a particularly useful molecule for this purpose, and some of its advantages include parallel (as opposed to serial) assembly, naturally occurring "tools," such as enzymes and proteins for making modifications and attachments, and structural dependence on base sequence. This allows us to develop one, two, and three dimensional structures that are interesting for their fundamental physical and chemical behavior, and for potential applications such as biosensors, medical diagnostics, molecular electronics, and efficient light-harvesting systems. We describe five techniques that allow one to assemble and image such structures: concentration measurement by ultraviolet absorption, titration gel electrophoresis, thermal annealing, fluorescence microscopy, and atomic force microscopy in fluids.

Three-dimensional waveform sensitivity kernels

NASA Astrophysics Data System (ADS)

Marquering, Henk; Nolet, Guust; Dahlen, F. A.

1998-03-01

The sensitivity of intermediate-period (~10-100s) seismic waveforms to the lateral heterogeneity of the Earth is computed using an efficient technique based upon surface-wave mode coupling. This formulation yields a general, fully fledged 3-D relationship between data and model without imposing smoothness constraints on the lateral heterogeneity. The calculations are based upon the Born approximation, which yields a linear relation between data and model. The linear relation ensures fast forward calculations and makes the formulation suitable for inversion schemes; however, higher-order effects such as wave-front healing are neglected. By including up to 20 surface-wave modes, we obtain Fréchet, or sensitivity, kernels for waveforms in the time frame that starts at the S arrival and which includes direct and surface-reflected body waves. These 3-D sensitivity kernels provide new insights into seismic-wave propagation, and suggest that there may be stringent limitations on the validity of ray-theoretical interpretations. Even recently developed 2-D formulations, which ignore structure out of the source-receiver plane, differ substantially from our 3-D treatment. We infer that smoothness constraints on heterogeneity, required to justify the use of ray techniques, are unlikely to hold in realistic earth models. This puts the use of ray-theoretical techniques into question for the interpretation of intermediate-period seismic data. The computed 3-D sensitivity kernels display a number of phenomena that are counter-intuitive from a ray-geometrical point of view: (1) body waves exhibit significant sensitivity to structure up to 500km away from the source-receiver minor arc; (2) significant near-surface sensitivity above the two turning points of the SS wave is observed; (3) the later part of the SS wave packet is most sensitive to structure away from the source-receiver path; (4) the sensitivity of the higher-frequency part of the fundamental surface-wave mode is wider than for its faster, lower-frequency part; (5) delayed body waves may considerably influence fundamental Rayleigh and Love waveforms. The strong sensitivity of waveforms to crustal structure due to fundamental-mode-to-body-wave scattering precludes the use of phase-velocity filters to model body-wave arrivals. Results from the 3-D formulation suggest that the use of 2-D and 1-D techniques for the interpretation of intermediate-period waveforms should seriously be reconsidered.

Materiomics: biological protein materials, from nano to macro.

PubMed

Cranford, Steven; Buehler, Markus J

2010-11-12

Materiomics is an emerging field of science that provides a basis for multiscale material system characterization, inspired in part by natural, for example, protein-based materials. Here we outline the scope and explain the motivation of the field of materiomics, as well as demonstrate the benefits of a materiomic approach in the understanding of biological and natural materials as well as in the design of de novo materials. We discuss recent studies that exemplify the impact of materiomics - discovering Nature's complexity through a materials science approach that merges concepts of material and structure throughout all scales and incorporates feedback loops that facilitate sensing and resulting structural changes at multiple scales. The development and application of materiomics is illustrated for the specific case of protein-based materials, which constitute the building blocks of a variety of biological systems such as tendon, bone, skin, spider silk, cells, and tissue, as well as natural composite material systems (a combination of protein-based and inorganic constituents) such as nacre and mollusk shells, and other natural multiscale systems such as cellulose-based plant and wood materials. An important trait of these materials is that they display distinctive hierarchical structures across multiple scales, where molecular details are exhibited in macroscale mechanical responses. Protein materials are intriguing examples of materials that balance multiple tasks, representing some of the most sustainable material solutions that integrate structure and function despite severe limitations in the quality and quantity of material building blocks. However, up until now, our attempts to analyze and replicate Nature's materials have been hindered by our lack of fundamental understanding of these materials' intricate hierarchical structures, scale-bridging mechanisms, and complex material components that bestow protein-based materials their unique properties. Recent advances in analytical tools and experimental methods allow a holistic view of such a hierarchical biological material system. The integration of these approaches and amalgamation of material properties at all scale levels to develop a complete description of a material system falls within the emerging field of materiomics. Materiomics is the result of the convergence of engineering and materials science with experimental and computational biology in the context of natural and synthetic materials. Through materiomics, fundamental advances in our understanding of structure-property-process relations of biological systems contribute to the mechanistic understanding of certain diseases and facilitate the development of novel biological, biologically inspired, and completely synthetic materials for applications in medicine (biomaterials), nanotechnology, and engineering.

Swarm: robust and fast clustering method for amplicon-based studies.

PubMed

Mahé, Frédéric; Rognes, Torbjørn; Quince, Christopher; de Vargas, Colomban; Dunthorn, Micah

2014-01-01

Popular de novo amplicon clustering methods suffer from two fundamental flaws: arbitrary global clustering thresholds, and input-order dependency induced by centroid selection. Swarm was developed to address these issues by first clustering nearly identical amplicons iteratively using a local threshold, and then by using clusters' internal structure and amplicon abundances to refine its results. This fast, scalable, and input-order independent approach reduces the influence of clustering parameters and produces robust operational taxonomic units.

Swarm: robust and fast clustering method for amplicon-based studies

PubMed Central

Rognes, Torbjørn; Quince, Christopher; de Vargas, Colomban; Dunthorn, Micah

2014-01-01

Popular de novo amplicon clustering methods suffer from two fundamental flaws: arbitrary global clustering thresholds, and input-order dependency induced by centroid selection. Swarm was developed to address these issues by first clustering nearly identical amplicons iteratively using a local threshold, and then by using clusters’ internal structure and amplicon abundances to refine its results. This fast, scalable, and input-order independent approach reduces the influence of clustering parameters and produces robust operational taxonomic units. PMID:25276506

Integrating Chemistry: Crossing the Millennium Divide.

PubMed

Housecroft, Catherine E

2018-02-01

A personal account of the development of two University level chemistry books is presented. The account focuses on ways to integrate the traditional branches of chemistry into a textbook that captures the imagination of students and relates chemical principles and fundamental topics to environmental, medicinal, biological and industrial applications. The ways in which teaching methods have changed over two decades and how web-based resources can be used to improve the communication of chemical (in particular structural) concepts are highlighted.

2014 Summer Series - Josh Alwood - To the Bone: Spaceflight and the Skeletal System

NASA Image and Video Library

2014-08-05

During spaceflight, astronauts experience weightlessness and are exposed to novel types of radiation. These environmental conditions may contribute to bone loss and reduction of structural integrity of the skeleton, which have negative implications for long-duration missions. The aim of this talk is to provide an overview of skeletal changes observed both in astronauts and in ground-based models of spaceflight, focusing on the fundamental biology and the prevention of deleterious skeletal changes.

Prediction Model for Impulsive Noise on Structures

DTIC Science & Technology

2012-09-01

construction usually have an interior wall finish of: a) gypsum wallboard (also called plasterboard or drywall), b) plaster or c) wood paneling... Gypsum Plaster , Wall Board 11,67 0.04 NA For simply-supported beams vibrating in their fundamental mode, the value of KS is needed for...Dev of log10(f0) for wood panel interior to be average for wood walls with plaster or gypsum board interior. (8) L(w) based on estimated standard

Facilitation of Ferroelectric Switching via Mechanical Manipulation of Hierarchical Nanoscale Domain Structures.

PubMed

Chen, Zibin; Hong, Liang; Wang, Feifei; Ringer, Simon P; Chen, Long-Qing; Luo, Haosu; Liao, Xiaozhou

2017-01-06

Heterogeneous ferroelastic transition that produces hierarchical 90° tetragonal nanodomains via mechanical loading and its effect on facilitating ferroelectric domain switching in relaxor-based ferroelectrics were explored. Combining in situ electron microscopy characterization and phase-field modeling, we reveal the nature of the transition process and discover that the transition lowers by 40% the electrical loading threshold needed for ferroelectric domain switching. Our results advance the fundamental understanding of ferroelectric domain switching behavior.

Rational design of fiber forming supramolecular structures

PubMed Central

Wang, Benjamin K; Kanahara, Satoko M

2016-01-01

Recent strides in the development of multifunctional synthetic biomimetic materials through the self-assembly of multi-domain peptides and proteins over the past decade have been realized. Such engineered systems have wide-ranging application in bioengineering and medicine. This review focuses on fundamental fiber forming α-helical coiled-coil peptides, peptide amphiphiles, and amyloid-based self-assembling peptides; followed by higher order collagen- and elastin-mimetic peptides with an emphasis on chemical / biological characterization and biomimicry. PMID:27022140

Discovery of Intramolecular Signal Transduction Network Based on a New Protein Dynamics Model of Energy Dissipation

PubMed Central

Ma, Cheng-Wei; Xiu, Zhi-Long; Zeng, An-Ping

2012-01-01

A novel approach to reveal intramolecular signal transduction network is proposed in this work. To this end, a new algorithm of network construction is developed, which is based on a new protein dynamics model of energy dissipation. A key feature of this approach is that direction information is specified after inferring protein residue-residue interaction network involved in the process of signal transduction. This enables fundamental analysis of the regulation hierarchy and identification of regulation hubs of the signaling network. A well-studied allosteric enzyme, E. coli aspartokinase III, is used as a model system to demonstrate the new method. Comparison with experimental results shows that the new approach is able to predict all the sites that have been experimentally proved to desensitize allosteric regulation of the enzyme. In addition, the signal transduction network shows a clear preference for specific structural regions, secondary structural types and residue conservation. Occurrence of super-hubs in the network indicates that allosteric regulation tends to gather residues with high connection ability to collectively facilitate the signaling process. Furthermore, a new parameter of propagation coefficient is defined to determine the propagation capability of residues within a signal transduction network. In conclusion, the new approach is useful for fundamental understanding of the process of intramolecular signal transduction and thus has significant impact on rational design of novel allosteric proteins. PMID:22363664

Diversity structure of culturable bacteria isolated from the Fildes Peninsula (King George Island, Antarctica): A phylogenetic analysis perspective

PubMed Central

González-Rocha, Gerardo; Muñoz-Cartes, Gabriel; Canales-Aguirre, Cristian B.; Lima, Celia A.; Domínguez-Yévenes, Mariana; Bello-Toledo, Helia

2017-01-01

It has been proposed that Antarctic environments select microorganisms with unique biochemical adaptations, based on the tenet ‘Everything is everywhere, but, the environment selects’ by Baas-Becking. However, this is a hypothesis that has not been extensively evaluated. This study evaluated the fundamental prediction contained in this hypothesis—in the sense that species are structured in the landscape according to their local habitats-, using as study model the phylogenetic diversity of the culturable bacteria of Fildes Peninsula (King George Island, Antarctica). Eighty bacterial strains isolated from 10 different locations in the area, were recovered. Based on phylogenetic analysis of 16S rRNA gene sequences, the isolates were grouped into twenty-six phylotypes distributed in three main clades, of which only six are exclusive to Antarctica. Results showed that phylotypes do not group significantly by habitat type; however, local habitat types had phylogenetic signal, which support the phylogenetic niche conservatism hypothesis and not a selective role of the environment like the Baas-Becking hypothesis suggests. We propose that, more than habitat selection resulting in new local adaptations and diversity, local historical colonization and species sorting (i.e. differences in speciation and extinction rates that arise by interaction of species level traits with the environment) play a fundamental role on the culturable bacterial diversity in Antarctica. PMID:28632790

Diversity structure of culturable bacteria isolated from the Fildes Peninsula (King George Island, Antarctica): A phylogenetic analysis perspective.

PubMed

González-Rocha, Gerardo; Muñoz-Cartes, Gabriel; Canales-Aguirre, Cristian B; Lima, Celia A; Domínguez-Yévenes, Mariana; Bello-Toledo, Helia; Hernández, Cristián E

2017-01-01

It has been proposed that Antarctic environments select microorganisms with unique biochemical adaptations, based on the tenet 'Everything is everywhere, but, the environment selects' by Baas-Becking. However, this is a hypothesis that has not been extensively evaluated. This study evaluated the fundamental prediction contained in this hypothesis-in the sense that species are structured in the landscape according to their local habitats-, using as study model the phylogenetic diversity of the culturable bacteria of Fildes Peninsula (King George Island, Antarctica). Eighty bacterial strains isolated from 10 different locations in the area, were recovered. Based on phylogenetic analysis of 16S rRNA gene sequences, the isolates were grouped into twenty-six phylotypes distributed in three main clades, of which only six are exclusive to Antarctica. Results showed that phylotypes do not group significantly by habitat type; however, local habitat types had phylogenetic signal, which support the phylogenetic niche conservatism hypothesis and not a selective role of the environment like the Baas-Becking hypothesis suggests. We propose that, more than habitat selection resulting in new local adaptations and diversity, local historical colonization and species sorting (i.e. differences in speciation and extinction rates that arise by interaction of species level traits with the environment) play a fundamental role on the culturable bacterial diversity in Antarctica.

[A review on fundamental studies of secondary forest management].

PubMed

Zhu, Jiaojun

2002-12-01

Secondary forest is also called as natural secondary forest, which regenerates on native forest that has been disturbed by severe natural or anthropogenic disturbances. The structural and dynamic organizations, growth, productivity and stand environment of secondary forests are significantly different from those of natural and artificial forests. Such significant differences make secondary forests have their own special characteristics in forestry. Secondary forests are the main body of forests in China. Therefore, their management plays a very important role in the projects of natural forest conservation and the construction of ecological environment in China or in the world. Based on a wide range of literature collection on secondary forest research, the fundamental studies of secondary forest management were discussed. The major topics are as follows: 1) basic characteristics of secondary forest, 2) principles of secondary forest management, 3) types of secondary forest, 4) community structure and succession dynamics of secondary forest, including niches, biodiversity, succession and so on, 5) main ecological processes of secondary forest, including regeneration, forest soil and forest environment. Additionally, the research needs and tendency related to secondary forest in the future were also given, based on the analyses of the main results and the problems in current management of secondary forest. The review may be helpful to the research of secondary forest management, and to the projects of natural forest conservation in China.

Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins.

PubMed

Kato, Koichi; Nakayoshi, Tomoki; Fukuyoshi, Shuichi; Kurimoto, Eiji; Oda, Akifumi

2017-10-12

Although various higher-order protein structure prediction methods have been developed, almost all of them were developed based on the three-dimensional (3D) structure information of known proteins. Here we predicted the short protein structures by molecular dynamics (MD) simulations in which only Newton's equations of motion were used and 3D structural information of known proteins was not required. To evaluate the ability of MD simulationto predict protein structures, we calculated seven short test protein (10-46 residues) in the denatured state and compared their predicted and experimental structures. The predicted structure for Trp-cage (20 residues) was close to the experimental structure by 200-ns MD simulation. For proteins shorter or longer than Trp-cage, root-mean square deviation values were larger than those for Trp-cage. However, secondary structures could be reproduced by MD simulations for proteins with 10-34 residues. Simulations by replica exchange MD were performed, but the results were similar to those from normal MD simulations. These results suggest that normal MD simulations can roughly predict short protein structures and 200-ns simulations are frequently sufficient for estimating the secondary structures of protein (approximately 20 residues). Structural prediction method using only fundamental physical laws are useful for investigating non-natural proteins, such as primitive proteins and artificial proteins for peptide-based drug delivery systems.

Predicting fundamental and realized distributions based on thermal niche: A case study of a freshwater turtle

NASA Astrophysics Data System (ADS)

Rodrigues, João Fabrício Mota; Coelho, Marco Túlio Pacheco; Ribeiro, Bruno R.

2018-04-01

Species distribution models (SDM) have been broadly used in ecology to address theoretical and practical problems. Currently, there are two main approaches to generate SDMs: (i) correlative, which is based on species occurrences and environmental predictor layers and (ii) process-based models, which are constructed based on species' functional traits and physiological tolerances. The distributions estimated by each approach are based on different components of species niche. Predictions of correlative models approach species realized niches, while predictions of process-based are more akin to species fundamental niche. Here, we integrated the predictions of fundamental and realized distributions of the freshwater turtle Trachemys dorbigni. Fundamental distribution was estimated using data of T. dorbigni's egg incubation temperature, and realized distribution was estimated using species occurrence records. Both types of distributions were estimated using the same regression approaches (logistic regression and support vector machines), both considering macroclimatic and microclimatic temperatures. The realized distribution of T. dorbigni was generally nested in its fundamental distribution reinforcing theoretical assumptions that the species' realized niche is a subset of its fundamental niche. Both modelling algorithms produced similar results but microtemperature generated better results than macrotemperature for the incubation model. Finally, our results reinforce the conclusion that species realized distributions are constrained by other factors other than just thermal tolerances.

High resolution PFPE-based molding High resolution PFPE-based molding High resolution PFPE-based molding techniques for nanofabrication of high pattern density sub-20 nm features: A fundamental materials approach

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

Williams, Stuart S; Samulski, Edward; Lopez, Renee

2010-01-01

ABSTRACT. Described herein is the development and investigation of PFPE-based elastomers for high resolution replica molding applications. The modulus of the elastomeric materials was increased through synthetic and additive approaches while maintaining relatively low surface energies (<25 mN/m). Using practically relevant large area master templates, we show that the resolution of the molds is strongly dependant upon the elastomeric mold modulus. A composite mold approach was used to form flexible molds out of stiff, high modulus materials that allow for replication of sub-20 nm post structures. Sub-100 nm line grating master templates, formed using e-beam lithography, were used to determinemore » the experimental stability of the molding materials. It was observed that as the feature spacing decreased, high modulus composite molds were able to effectively replicate the nano-grating structures without cracking or tear-out defects that typically occur with high modulus elastomers.« less

Recent Advances in TiO2 -Based Nanostructured Surfaces with Controllable Wettability and Adhesion.

PubMed

Lai, Yuekun; Huang, Jianying; Cui, Zequn; Ge, Mingzheng; Zhang, Ke-Qin; Chen, Zhong; Chi, Lifeng

2016-04-27

Bioinspired surfaces with special wettability and adhesion have attracted great interest in both fundamental research and industry applications. Various kinds of special wetting surfaces have been constructed by adjusting the topographical structure and chemical composition. Here, recent progress of the artificial superhydrophobic surfaces with high contrast in solid/liquid adhesion has been reviewed, with a focus on the bioinspired construction and applications of one-dimensional (1D) TiO2-based surfaces. In addition, the significant applications related to artificial super-wetting/antiwetting TiO2-based structure surfaces with controllable adhesion are summarized, e.g., self-cleaning, friction reduction, anti-fogging/icing, microfluidic manipulation, fog/water collection, oil/water separation, anti-bioadhesion, and micro-templates for patterning. Finally, the current challenges and future prospects of this renascent and rapidly developing field, especially with regard to 1D TiO2-based surfaces with special wettability and adhesion, are proposed and discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Particle Adventure | What is fundamental? | Fundamental

Science.gov Websites

Quiz - What particles are made of The four interactions How does matter interact? The unseen effect structure Rutherford's result Rutherford's analysis How physicists experiment Deflected probe Detecting the Energy-mass conversion Accelerators How to obtain particles to accelerate Accelerating particles

Quantification of soil structure based on Minkowski functions

NASA Astrophysics Data System (ADS)

Vogel, H.-J.; Weller, U.; Schlüter, S.

2010-10-01

The structure of soils and other geologic media is a complex three-dimensional object. Most of the physical material properties including mechanical and hydraulic characteristics are immediately linked to the structure given by the pore space and its spatial distribution. It is an old dream and still a formidable challenge to relate structural features of porous media to their functional properties. Using tomographic techniques, soil structure can be directly observed at a range of spatial scales. In this paper we present a scale-invariant concept to quantify complex structures based on a limited set of meaningful morphological functions. They are based on d+1 Minkowski functionals as defined for d-dimensional bodies. These basic quantities are determined as a function of pore size or aggregate size obtained by filter procedures using mathematical morphology. The resulting Minkowski functions provide valuable information on the size of pores and aggregates, the pore surface area and the pore topology having the potential to be linked to physical properties. The theoretical background and the related algorithms are presented and the approach is demonstrated for the pore structure of an arable soil and the pore structure of a sand both obtained by X-ray micro-tomography. We also analyze the fundamental problem of limited resolution which is critical for any attempt to quantify structural features at any scale using samples of different size recorded at different resolutions. The results demonstrate that objects smaller than 5 voxels are critical for quantitative analysis.

Recent progress in structural biology: lessons from our research history.

PubMed

Nitta, Ryo; Imasaki, Tsuyoshi; Nitta, Eriko

2018-05-16

The recent 'resolution revolution' in structural analyses of cryo-electron microscopy (cryo-EM) has drastically changed the research strategy for structural biology. In addition to X-ray crystallography and nuclear magnetic resonance spectroscopy, cryo-EM has achieved the structural analysis of biological molecules at near-atomic resolution, resulting in the Nobel Prize in Chemistry 2017. The effect of this revolution has spread within the biology and medical science fields affecting everything from basic research to pharmaceutical development by visualizing atomic structure. As we have used cryo-EM as well as X-ray crystallography since 2000 to elucidate the molecular mechanisms of the fundamental phenomena in the cell, here we review our research history and summarize our findings. In the first half of the review, we describe the structural mechanisms of microtubule-based motility of molecular motor kinesin by using a joint cryo-EM and X-ray crystallography method. In the latter half, we summarize our structural studies on transcriptional regulation by X-ray crystallography of in vitro reconstitution of a multi-protein complex.

Physics and evolution of thermophilic adaptation.

PubMed

Berezovsky, Igor N; Shakhnovich, Eugene I

2005-09-06

Analysis of structures and sequences of several hyperthermostable proteins from various sources reveals two major physical mechanisms of their thermostabilization. The first mechanism is "structure-based," whereby some hyperthermostable proteins are significantly more compact than their mesophilic homologues, while no particular interaction type appears to cause stabilization; rather, a sheer number of interactions is responsible for thermostability. Other hyperthermostable proteins employ an alternative, "sequence-based" mechanism of their thermal stabilization. They do not show pronounced structural differences from mesophilic homologues. Rather, a small number of apparently strong interactions is responsible for high thermal stability of these proteins. High-throughput comparative analysis of structures and complete genomes of several hyperthermophilic archaea and bacteria revealed that organisms develop diverse strategies of thermophilic adaptation by using, to a varying degree, two fundamental physical mechanisms of thermostability. The choice of a particular strategy depends on the evolutionary history of an organism. Proteins from organisms that originated in an extreme environment, such as hyperthermophilic archaea (Pyrococcus furiosus), are significantly more compact and more hydrophobic than their mesophilic counterparts. Alternatively, organisms that evolved as mesophiles but later recolonized a hot environment (Thermotoga maritima) relied in their evolutionary strategy of thermophilic adaptation on "sequence-based" mechanism of thermostability. We propose an evolutionary explanation of these differences based on physical concepts of protein designability.

Lorenz, Gödel and Penrose: new perspectives on determinism and causality in fundamental physics

NASA Astrophysics Data System (ADS)

Palmer, T. N.

2014-07-01

Despite being known for his pioneering work on chaotic unpredictability, the key discovery at the core of meteorologist Ed Lorenz's work is the link between space-time calculus and state-space fractal geometry. Indeed, properties of Lorenz's fractal invariant set relate space-time calculus to deep areas of mathematics such as Gödel's Incompleteness Theorem. Could such properties also provide new perspectives on deep unsolved issues in fundamental physics? Recent developments in cosmology motivate what is referred to as the 'cosmological invariant set postulate': that the universe ? can be considered a deterministic dynamical system evolving on a causal measure-zero fractal invariant set ? in its state space. Symbolic representations of ? are constructed explicitly based on permutation representations of quaternions. The resulting 'invariant set theory' provides some new perspectives on determinism and causality in fundamental physics. For example, while the cosmological invariant set appears to have a rich enough structure to allow a description of (quantum) probability, its measure-zero character ensures it is sparse enough to prevent invariant set theory being constrained by the Bell inequality (consistent with a partial violation of the so-called measurement independence postulate). The primacy of geometry as embodied in the proposed theory extends the principles underpinning general relativity. As a result, the physical basis for contemporary programmes which apply standard field quantisation to some putative gravitational lagrangian is questioned. Consistent with Penrose's suggestion of a deterministic but non-computable theory of fundamental physics, an alternative 'gravitational theory of the quantum' is proposed based on the geometry of ?, with new perspectives on the problem of black-hole information loss and potential observational consequences for the dark universe.

Underground atom gradiometer array for mass distribution monitoring and advanced geodesy

NASA Astrophysics Data System (ADS)

Canuel, B.

2015-12-01

After more than 20 years of fundamental research, atom interferometers have reached sensitivity and accuracy levels competing with or beating inertial sensors based on different technologies. Atom interferometers offer interesting applications in geophysics (gravimetry, gradiometry, Earth rotation rate measurements), inertial sensing (submarine or aircraft autonomous positioning), metrology (new definition of the kilogram) and fundamental physics (tests of the standard model, tests of general relativity). Atom interferometers already contributed significantly to fundamental physics by, for example, providing stringent constraints on quantum-electrodynamics through measurements of the hyperfine structure constant, testing the Equivalence Principle with cold atoms, or providing new measurements for the Newtonian gravitational constant. Cold atom sensors have moreover been established as key instruments in metrology for the new definition of the kilogram or through international comparisons of gravimeters. The field of atom interferometry (AI) is now entering a new phase where very high sensitivity levels must be demonstrated, in order to enlarge the potential applications outside atomic physics laboratories. These applications range from gravitational wave (GW) detection in the [0.1-10 Hz] frequency band to next generation ground and space-based Earth gravity field studies to precision gyroscopes and accelerometers. The Matter-wave laser Interferometric Gravitation Antenna (MIGA) presented here is a large-scale matter-wave sensor which will open new applications in geoscience and fundamental physics. The MIGA consortium gathers 18 expert French laboratories and companies in atomic physics, metrology, optics, geosciences and gravitational physics, with the aim to build a large-scale underground atom-interferometer instrument by 2018 and operate it till at least 2023. In this paper, we present the main objectives of the project, the status of the construction of the instrument and the motivation for the applications of MIGA in geosciences

Experimental Observation of Redox-Induced Fe-N Switching Behavior as a Determinant Role for Oxygen Reduction Activity.

PubMed

Jia, Qingying; Ramaswamy, Nagappan; Hafiz, Hasnain; Tylus, Urszula; Strickland, Kara; Wu, Gang; Barbiellini, Bernardo; Bansil, Arun; Holby, Edward F; Zelenay, Piotr; Mukerjee, Sanjeev

2015-12-22

The commercialization of electrochemical energy conversion and storage devices relies largely upon the development of highly active catalysts based on abundant and inexpensive materials. Despite recent achievements in this respect, further progress is hindered by the poor understanding of the nature of active sites and reaction mechanisms. Herein, by characterizing representative iron-based catalysts under reactive conditions, we identify three Fe-N4-like catalytic centers with distinctly different Fe-N switching behaviors (Fe moving toward or away from the N4-plane) during the oxygen reduction reaction (ORR), and show that their ORR activities are essentially governed by the dynamic structure associated with the Fe(2+/3+) redox transition, rather than the static structure of the bare sites. Our findings reveal the structural origin of the enhanced catalytic activity of pyrolyzed Fe-based catalysts compared to nonpyrolyzed Fe-macrocycle compounds. More generally, the fundamental insights into the dynamic nature of transition-metal compounds during electron-transfer reactions will potentially guide rational design of these materials for broad applications.

Density-functional energy gaps of solids demystified

NASA Astrophysics Data System (ADS)

Perdew, John P.; Ruzsinszky, Adrienn

2018-06-01

The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

SAM-based Cell Transfer to Photopatterned Hydrogels for Microengineering Vascular-Like Structures

PubMed Central

Sadr, Nasser; Zhu, Mojun; Osaki, Tatsuya; Kakegawa, Takahiro; Yang, Yunzhi; Moretti, Matteo; Fukuda, Junji; Khademhosseini, Ali

2011-01-01

A major challenge in tissue engineering is to reproduce the native 3D microvascular architecture fundamental for in vivo functions. Current approaches still lack a network of perfusable vessels with native 3D structural organization. Here we present a new method combining self-assembled monolayer (SAM)-based cell transfer and gelatin methacrylate hydrogel photopatterning techniques for microengineering vascular structures. Human umbilical vein cell (HUVEC) transfer from oligopeptide SAM-coated surfaces to the hydrogel revealed two SAM desorption mechanisms: photoinduced and electrochemically triggered. The former, occurs concomitantly to hydrogel photocrosslinking, and resulted in efficient (>97%) monolayer transfer. The latter, prompted by additional potential application, preserved cell morphology and maintained high transfer efficiency of VE-cadherin positive monolayers over longer culture periods. This approach was also applied to transfer HUVECs to 3D geometrically defined vascular-like structures in hydrogels, which were then maintained in perfusion culture for 15 days. As a step toward more complex constructs, a cell-laden hydrogel layer was photopatterned around the endothelialized channel to mimic the vascular smooth muscle structure of distal arterioles. This study shows that the coupling of the SAM-based cell transfer and hydrogel photocrosslinking could potentially open up new avenues in engineering more complex, vascularized tissue constructs for regenerative medicine and tissue engineering applications. PMID:21802723

An efficient, large-scale, non-lattice-detection algorithm for exhaustive structural auditing of biomedical ontologies.

PubMed

Zhang, Guo-Qiang; Xing, Guangming; Cui, Licong

2018-04-01

One of the basic challenges in developing structural methods for systematic audition on the quality of biomedical ontologies is the computational cost usually involved in exhaustive sub-graph analysis. We introduce ANT-LCA, a new algorithm for computing all non-trivial lowest common ancestors (LCA) of each pair of concepts in the hierarchical order induced by an ontology. The computation of LCA is a fundamental step for non-lattice approach for ontology quality assurance. Distinct from existing approaches, ANT-LCA only computes LCAs for non-trivial pairs, those having at least one common ancestor. To skip all trivial pairs that may be of no practical interest, ANT-LCA employs a simple but innovative algorithmic strategy combining topological order and dynamic programming to keep track of non-trivial pairs. We provide correctness proofs and demonstrate a substantial reduction in computational time for two largest biomedical ontologies: SNOMED CT and Gene Ontology (GO). ANT-LCA achieved an average computation time of 30 and 3 sec per version for SNOMED CT and GO, respectively, about 2 orders of magnitude faster than the best known approaches. Our algorithm overcomes a fundamental computational barrier in sub-graph based structural analysis of large ontological systems. It enables the implementation of a new breed of structural auditing methods that not only identifies potential problematic areas, but also automatically suggests changes to fix the issues. Such structural auditing methods can lead to more effective tools supporting ontology quality assurance work. Copyright © 2018 Elsevier Inc. All rights reserved.

Fundamentals of Marketing. Marketing Education Teacher's Resource Guide. Expected Student Learning Outcomes and Cross-Referenced Instructional Materials by Competencies.

ERIC Educational Resources Information Center

Smith, Clifton L.

This guide, developed by a project to revise the minimum core competencies for the Fundamentals of Marketing course in secondary marketing education in Missouri, contains four sections. The first section explains competency-based marketing education, including its mission, nature, curriculum, and the fundamentals of competency-based instruction.…

Simplifying structure analysis projects with customizable chime-based templates*.

PubMed

Thompson, Scott E; Sears, Duane W

2005-09-01

Structure/function relationships are fundamental to understanding the properties of biological molecules, and thus it is imperative that biochemistry students learn how to analyze such relationships. Here we describe Chime-based web page templates and tutorials designed to help students develop their own strategies for exploring macromolecular three-dimensional structures like those on our course website. The templates can easily be customized for any structure of interest, and some templates include a Command Entry Line and a Message Recall Box for more refined macromolecular exploration using RasMol/Chime image modification commands. The tutorials present students with an integrated overview of the image modification capabilities of the Chime plug-in and its underlying RasMol-based command structure as accessed through the Command Entry Line. The tutorial also illustrates how RasMol/Chime command syntax addresses specific formatted structural information in a standard Protein Data Bank file. Judging by the high quality of structure-based presentations given by students who have used these templates and tutorials, it appears that these resources can help students learn to analyze complex macromolecular structures while also providing them with convenient tools for creating scientifically meaningful and visually effective molecular images to share with others. (The templates, tutorials, and our course website can be viewed at the following URLs, respectively: tutor.lscf.ucsb.edu/instdev/sears/biochemistry/presentations/demos-downloads.htm, tutor.lscf.ucsb.edu/instdev/sears/biochemistry/tutorials/pdbtutorial/frontwindow.html, and tutor.lscf.ucsb.edu/instdev/sears/biochemistry/.). Copyright © 2005 International Union of Biochemistry and Molecular Biology, Inc.

Nanoscale measurements of unoccupied band dispersion in few-layer graphene.

PubMed

Jobst, Johannes; Kautz, Jaap; Geelen, Daniël; Tromp, Rudolf M; van der Molen, Sense Jan

2015-11-26

The properties of any material are fundamentally determined by its electronic band structure. Each band represents a series of allowed states inside a material, relating electron energy and momentum. The occupied bands, that is, the filled electron states below the Fermi level, can be routinely measured. However, it is remarkably difficult to characterize the empty part of the band structure experimentally. Here, we present direct measurements of unoccupied bands of monolayer, bilayer and trilayer graphene. To obtain these, we introduce a technique based on low-energy electron microscopy. It relies on the dependence of the electron reflectivity on incidence angle and energy and has a spatial resolution ∼10 nm. The method can be easily applied to other nanomaterials such as van der Waals structures that are available in small crystals only.

COMPARATIVE STUDY OF THREE FUNDAMENTAL ORGANIC COMPOUNDS OF CHAIN STRUCTURE OF THREE RINGS An approach based in the molecular descriptors of the DFT (Density Functional Theory)

NASA Astrophysics Data System (ADS)

Leon, Neira B. Oscar; Fabio, Mejía Elio; Elizabeth, y. Rincón B.

2008-04-01

The organic molecules of a chain structure containing phenyl, oxazole and oxadiazole rings are used in different combinations as active media for tunable lasers. From this viewpoint, we focused in the theoretical study of organic compounds of three rings, which have similar optical properties (fluorescence and laser properties). The main goal of this study is to compare the electronic structure through the analysis of molecular global descriptors defined in the DFT framework of2-[2-X-phenyl]-5-phenyl-1,3-Oxazole, 2-[2-X-phenyl]-5-phenyl-1,3,4-Oxadiazole, and 2-[2-X-phenyl]-5-phenyl-furane with X = H, F and Cl. The basis set used was 6-31G+(d).

Nonlinear Optics with 2D Layered Materials.

PubMed

Autere, Anton; Jussila, Henri; Dai, Yunyun; Wang, Yadong; Lipsanen, Harri; Sun, Zhipei

2018-06-01

2D layered materials (2DLMs) are a subject of intense research for a wide variety of applications (e.g., electronics, photonics, and optoelectronics) due to their unique physical properties. Most recently, increasing research efforts on 2DLMs are projected toward the nonlinear optical properties of 2DLMs, which are not only fascinating from the fundamental science point of view but also intriguing for various potential applications. Here, the current state of the art in the field of nonlinear optics based on 2DLMs and their hybrid structures (e.g., mixed-dimensional heterostructures, plasmonic structures, and silicon/fiber integrated structures) is reviewed. Several potential perspectives and possible future research directions of these promising nanomaterials for nonlinear optics are also presented. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Energy scaling and reduction in controlling complex networks

PubMed Central

Chen, Yu-Zhong; Wang, Le-Zhi; Wang, Wen-Xu; Lai, Ying-Cheng

2016-01-01

Recent works revealed that the energy required to control a complex network depends on the number of driving signals and the energy distribution follows an algebraic scaling law. If one implements control using a small number of drivers, e.g. as determined by the structural controllability theory, there is a high probability that the energy will diverge. We develop a physical theory to explain the scaling behaviour through identification of the fundamental structural elements, the longest control chains (LCCs), that dominate the control energy. Based on the LCCs, we articulate a strategy to drastically reduce the control energy (e.g. in a large number of real-world networks). Owing to their structural nature, the LCCs may shed light on energy issues associated with control of nonlinear dynamical networks. PMID:27152220

Observing microscopic structures of a relativistic object using a time-stretch strategy.

PubMed

Roussel, E; Evain, C; Le Parquier, M; Szwaj, C; Bielawski, S; Manceron, L; Brubach, J-B; Tordeux, M-A; Ricaud, J-P; Cassinari, L; Labat, M; Couprie, M-E; Roy, P

2015-05-28

Emission of light by a single electron moving on a curved trajectory (synchrotron radiation) is one of the most well-known fundamental radiation phenomena. However experimental situations are more complex as they involve many electrons, each being exposed to the radiation of its neighbors. This interaction has dramatic consequences, one of the most spectacular being the spontaneous formation of spatial structures inside electrons bunches. This fundamental effect is actively studied as it represents one of the most fundamental limitations in electron accelerators, and at the same time a source of intense terahertz radiation (Coherent Synchrotron Radiation, or CSR). Here we demonstrate the possibility to directly observe the electron bunch microstructures with subpicosecond resolution, in a storage ring accelerator. The principle is to monitor the terahertz pulses emitted by the structures, using a strategy from photonics, time-stretch, consisting in slowing-down the phenomena before recording. This opens the way to unpreceeded possibilities for analyzing and mastering new generation high power coherent synchrotron sources.

Observing microscopic structures of a relativistic object using a time-stretch strategy

NASA Astrophysics Data System (ADS)

Roussel, E.; Evain, C.; Le Parquier, M.; Szwaj, C.; Bielawski, S.; Manceron, L.; Brubach, J.-B.; Tordeux, M.-A.; Ricaud, J.-P.; Cassinari, L.; Labat, M.; Couprie, M.-E.; Roy, P.

2015-05-01

Emission of light by a single electron moving on a curved trajectory (synchrotron radiation) is one of the most well-known fundamental radiation phenomena. However experimental situations are more complex as they involve many electrons, each being exposed to the radiation of its neighbors. This interaction has dramatic consequences, one of the most spectacular being the spontaneous formation of spatial structures inside electrons bunches. This fundamental effect is actively studied as it represents one of the most fundamental limitations in electron accelerators, and at the same time a source of intense terahertz radiation (Coherent Synchrotron Radiation, or CSR). Here we demonstrate the possibility to directly observe the electron bunch microstructures with subpicosecond resolution, in a storage ring accelerator. The principle is to monitor the terahertz pulses emitted by the structures, using a strategy from photonics, time-stretch, consisting in slowing-down the phenomena before recording. This opens the way to unpreceeded possibilities for analyzing and mastering new generation high power coherent synchrotron sources.

Dissemination of original NMR data enhances reproducibility and integrity in chemical research.

PubMed

Bisson, Jonathan; Simmler, Charlotte; Chen, Shao-Nong; Friesen, J Brent; Lankin, David C; McAlpine, James B; Pauli, Guido F

2016-08-25

The notion of data transparency is gaining a strong awareness among the scientific community. The availability of raw data is actually regarded as a fundamental way to advance science by promoting both integrity and reproducibility of research outcomes. Particularly, in the field of natural product and chemical research, NMR spectroscopy is a fundamental tool for structural elucidation and quantification (qNMR). As such, the accessibility of original NMR data, i.e., Free Induction Decays (FIDs), fosters transparency in chemical research and optimizes both peer review and reproducibility of reports by offering the fundamental tools to perform efficient structural verification. Although original NMR data are known to contain a wealth of information, they are rarely accessible along with published data. This viewpoint discusses the relevance of the availability of original NMR data as part of good research practices not only to promote structural correctness, but also to enhance traceability and reproducibility of both chemical and biological results.

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

Dincă, Mircea; Léonard, François

Metal–organic frameworks (MOFs), with their crystalline nanoporous three-dimensional structures, have emerged as unique multifunctional materials that combine high porosity with catalytic, photophysical, or other properties to reveal new fundamental science and applications. Because MOFs are composed of organic molecules linking metal centers in ways that are not usually conducive to the formation of free-charge carriers or low-energy charge-transport pathways, they are typically insulators. Accordingly, applications so far have harnessed the unique structural properties and porosity of MOFs, which depend only to a small extent on the ability to manipulate their electronic structure. An exciting new area has emerged due tomore » the recent demonstration of MOFs with controlled electronic and optical properties, which is enabling new fundamental science and opens up the possibility of applications in electronics and photonics. This article presents an overview of the fundamental science issues related to controlling electronic and optical properties of MOFs, and how research groups worldwide have been exploring such properties for electronics, thermoelectrics, photophysics, and charge storage.« less

Minimal measures for Euler-Lagrange flows on finite covering spaces

NASA Astrophysics Data System (ADS)

Wang, Fang; Xia, Zhihong

2016-12-01

In this paper we study the minimal measures for positive definite Lagrangian systems on compact manifolds. We are particularly interested in manifolds with more complicated fundamental groups. Mather’s theory classifies the minimal or action-minimizing measures according to the first (co-)homology group of a given manifold. We extend Mather’s notion of minimal measures to a larger class for compact manifolds with non-commutative fundamental groups, and use finite coverings to study the structure of these extended minimal measures. We also define action-minimizers and minimal measures in the homotopical sense. Our program is to study the structure of homotopical minimal measures by considering Mather’s minimal measures on finite covering spaces. Our goal is to show that, in general, manifolds with a non-commutative fundamental group have a richer set of minimal measures, hence a richer dynamical structure. As an example, we study the geodesic flow on surfaces of higher genus. Indeed, by going to the finite covering spaces, the set of minimal measures is much larger and more interesting.

The FlyBase database of the Drosophila genome projects and community literature

PubMed Central

2003-01-01

FlyBase (http://flybase.bio.indiana.edu/) provides an integrated view of the fundamental genomic and genetic data on the major genetic model Drosophila melanogaster and related species. FlyBase has primary responsibility for the continual reannotation of the D. melanogaster genome. The ultimate goal of the reannotation effort is to decorate the euchromatic sequence of the genome with as much biological information as is available from the community and from the major genome project centers. A complete revision of the annotations of the now-finished euchromatic genomic sequence has been completed. There are many points of entry to the genome within FlyBase, most notably through maps, gene products and ontologies, structured phenotypic and gene expression data, and anatomy. PMID:12519974

Enhancement of second harmonic generation in NaNO{sub 2}-infiltrated opal photonic crystal using structural light focusing

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

Zaytsev, Kirill I., E-mail: kirzay@gmail.com; Yurchenko, Stanislav O., E-mail: st.yurchenko@mail.ru

Experimental and numerical results for second harmonic generation (SHG) in photonic crystal (PC) based on NaNO{sub 2}-infiltrated opal matrix are presented. SHG is performed in reflection mode; thus, the direction of the SHG maximum is equal to the angle of mirror reflection. The PC was pumped with femtosecond optical pulses at different angles of incidence, allowing the dependence of the SHG efficiency on the location of the fundamental wavelength toward the PC band gap (BG) to be examined. The most efficient SHG was observed when pumping the BG of the PC. To interpret the experimental results, finite-difference time-domain numerical simulationsmore » of the light interaction with the PC were conducted. The observed effect of highly efficient SHG is associated with structural light focusing, and, as a consequence, with strong optical field localization within certain near-surface PC regions. Thus, SHG enhancement based on structural light focusing in PC was demonstrated.« less

Design concepts for a high-impedance narrow-band 42 GHz power TWT using a fundamental/forward ladder-based circuit

NASA Technical Reports Server (NTRS)

Karp, A.

1980-01-01

A low-cost, narrowband, millimeter wave space communications TWT design was studied. Cold test interaction structure scale models were investigated and analyses were undertaken to predict the electrical and thermal response of the hypothetical 200 W TWT at 42 GHz and 21 kV beam voltage. An intentionally narrow instantaneous bandwidth (1%, with the possibility of electronic tuning of the center frequency over several percent) was sought with a highly dispersive, high impedance "forward wave' interaction structure based on a ladder (for economy in fabrication) and nonspace harmonic interaction, for a high gain rate and a short, economically focused tube. The "TunneLadder' interaction structure devised combines ladder properties with accommodation for a pencil beam. Except for the impedance and bandwidth, there is much in common with the millimeter wave helix TWTs which provided the ideal of diamond support rods. The benefits of these are enhanced in the TunneLadder case because of spatial separation of beam interception and RF current heating.

Analytical Fuselage and Wing Weight Estimation of Transport Aircraft

NASA Technical Reports Server (NTRS)

Chambers, Mark C.; Ardema, Mark D.; Patron, Anthony P.; Hahn, Andrew S.; Miura, Hirokazu; Moore, Mark D.

1996-01-01

A method of estimating the load-bearing fuselage weight and wing weight of transport aircraft based on fundamental structural principles has been developed. This method of weight estimation represents a compromise between the rapid assessment of component weight using empirical methods based on actual weights of existing aircraft, and detailed, but time-consuming, analysis using the finite element method. The method was applied to eight existing subsonic transports for validation and correlation. Integration of the resulting computer program, PDCYL, has been made into the weights-calculating module of the AirCraft SYNThesis (ACSYNT) computer program. ACSYNT has traditionally used only empirical weight estimation methods; PDCYL adds to ACSYNT a rapid, accurate means of assessing the fuselage and wing weights of unconventional aircraft. PDCYL also allows flexibility in the choice of structural concept, as well as a direct means of determining the impact of advanced materials on structural weight. Using statistical analysis techniques, relations between the load-bearing fuselage and wing weights calculated by PDCYL and corresponding actual weights were determined.

Dynamically Tunable Cell Culture Platforms for Tissue Engineering and Mechanobiology

PubMed Central

Uto, Koichiro; Tsui, Jonathan H.; DeForest, Cole A.; Kim, Deok-Ho

2016-01-01

Human tissues are sophisticated ensembles of many distinct cell types embedded in the complex, but well-defined, structures of the extracellular matrix (ECM). Dynamic biochemical, physicochemical, and mechano-structural changes in the ECM define and regulate tissue-specific cell behaviors. To recapitulate this complex environment in vitro, dynamic polymer-based biomaterials have emerged as powerful tools to probe and direct active changes in cell function. The rapid evolution of polymerization chemistries, structural modulation, and processing technologies, as well as the incorporation of stimuli-responsiveness, now permit synthetic microenvironments to capture much of the dynamic complexity of native tissue. These platforms are comprised not only of natural polymers chemically and molecularly similar to ECM, but those fully synthetic in origin. Here, we review recent in vitro efforts to mimic the dynamic microenvironment comprising native tissue ECM from the viewpoint of material design. We also discuss how these dynamic polymer-based biomaterials are being used in fundamental cell mechanobiology studies, as well as towards efforts in tissue engineering and regenerative medicine. PMID:28522885

Prokaryotic cells: structural organisation of the cytoskeleton and organelles.

PubMed

Souza, Wanderley de

2012-05-01

For many years, prokaryotic cells were distinguished from eukaryotic cells based on the simplicity of their cytoplasm, in which the presence of organelles and cytoskeletal structures had not been discovered. Based on current knowledge, this review describes the complex components of the prokaryotic cell cytoskeleton, including (i) tubulin homologues composed of FtsZ, BtuA, BtuB and several associated proteins, which play a fundamental role in cell division, (ii) actin-like homologues, such as MreB and Mb1, which are involved in controlling cell width and cell length, and (iii) intermediate filament homologues, including crescentin and CfpA, which localise on the concave side of a bacterium and along its inner curvature and associate with its membrane. Some prokaryotes exhibit specialised membrane-bound organelles in the cytoplasm, such as magnetosomes and acidocalcisomes, as well as protein complexes, such as carboxysomes. This review also examines recent data on the presence of nanotubes, which are structures that are well characterised in mammalian cells that allow direct contact and communication between cells.

Coevolution at protein complex interfaces can be detected by the complementarity trace with important impact for predictive docking

PubMed Central

Madaoui, Hocine; Guerois, Raphaël

2008-01-01

Protein surfaces are under significant selection pressure to maintain interactions with their partners throughout evolution. Capturing how selection pressure acts at the interfaces of protein–protein complexes is a fundamental issue with high interest for the structural prediction of macromolecular assemblies. We tackled this issue under the assumption that, throughout evolution, mutations should minimally disrupt the physicochemical compatibility between specific clusters of interacting residues. This constraint drove the development of the so-called Surface COmplementarity Trace in Complex History score (SCOTCH), which was found to discriminate with high efficiency the structure of biological complexes. SCOTCH performances were assessed not only with respect to other evolution-based approaches, such as conservation and coevolution analyses, but also with respect to statistically based scoring methods. Validated on a set of 129 complexes of known structure exhibiting both permanent and transient intermolecular interactions, SCOTCH appears as a robust strategy to guide the prediction of protein–protein complex structures. Of particular interest, it also provides a basic framework to efficiently track how protein surfaces could evolve while keeping their partners in contact. PMID:18511568

A spatiotemporal structure: common to subatomic systems, biological processes, and economic cycles

NASA Astrophysics Data System (ADS)

Naitoh, Ken

2012-03-01

A theoretical model derived based on a quasi-stability concept applied to momentum conservation (Naitoh, JJIAM, 2001, Artificial Life Robotics, 2008, 2010) has revealed the spatial structure of various systems. This model explains the reason why particles such as biological cells, nitrogenous bases, and liquid droplets have bimodal size ratios of about 2:3 and 1:1. This paper shows that the same theory holds true for several levels of parcels from baryons to stars in the cosmos: specifically, at the levels of nuclear force, van der Waals force, surface tension, and the force of gravity. A higher order of analysis clarifies other asymmetric ratios related to the halo structure seen in atoms and amino acids. We will also show that our minimum hypercycle theory for explaining the morphogenetic cycle (Naitoh, Artificial Life Robotics, 2008) reveals other temporal cycles such as those of economic systems and the circadian clock as well as the fundamental neural network pattern (topological pattern). Finally, a universal equation describing the spatiotemporal structure of several systems will be derived, which also leads to a general concept of quasi-stability.

Quantifying the relationship between sequence and three-dimensional structure conservation in RNA

PubMed Central

2010-01-01

Background In recent years, the number of available RNA structures has rapidly grown reflecting the increased interest on RNA biology. Similarly to the studies carried out two decades ago for proteins, which gave the fundamental grounds for developing comparative protein structure prediction methods, we are now able to quantify the relationship between sequence and structure conservation in RNA. Results Here we introduce an all-against-all sequence- and three-dimensional (3D) structure-based comparison of a representative set of RNA structures, which have allowed us to quantitatively confirm that: (i) there is a measurable relationship between sequence and structure conservation that weakens for alignments resulting in below 60% sequence identity, (ii) evolution tends to conserve more RNA structure than sequence, and (iii) there is a twilight zone for RNA homology detection. Discussion The computational analysis here presented quantitatively describes the relationship between sequence and structure for RNA molecules and defines a twilight zone region for detecting RNA homology. Our work could represent the theoretical basis and limitations for future developments in comparative RNA 3D structure prediction. PMID:20550657

A frequency-based linguistic approach to protein decoding and design: Simple concepts, diverse applications, and the SCS Package

PubMed Central

Motomura, Kenta; Nakamura, Morikazu; Otaki, Joji M.

2013-01-01

Protein structure and function information is coded in amino acid sequences. However, the relationship between primary sequences and three-dimensional structures and functions remains enigmatic. Our approach to this fundamental biochemistry problem is based on the frequencies of short constituent sequences (SCSs) or words. A protein amino acid sequence is considered analogous to an English sentence, where SCSs are equivalent to words. Availability scores, which are defined as real SCS frequencies in the non-redundant amino acid database relative to their probabilistically expected frequencies, demonstrate the biological usage bias of SCSs. As a result, this frequency-based linguistic approach is expected to have diverse applications, such as secondary structure specifications by structure-specific SCSs and immunological adjuvants with rare or non-existent SCSs. Linguistic similarities (e.g., wide ranges of scale-free distributions) and dissimilarities (e.g., behaviors of low-rank samples) between proteins and the natural English language have been revealed in the rank-frequency relationships of SCSs or words. We have developed a web server, the SCS Package, which contains five applications for analyzing protein sequences based on the linguistic concept. These tools have the potential to assist researchers in deciphering structurally and functionally important protein sites, species-specific sequences, and functional relationships between SCSs. The SCS Package also provides researchers with a tool to construct amino acid sequences de novo based on the idiomatic usage of SCSs. PMID:24688703

A frequency-based linguistic approach to protein decoding and design: Simple concepts, diverse applications, and the SCS Package.

PubMed

Motomura, Kenta; Nakamura, Morikazu; Otaki, Joji M

2013-01-01

Protein structure and function information is coded in amino acid sequences. However, the relationship between primary sequences and three-dimensional structures and functions remains enigmatic. Our approach to this fundamental biochemistry problem is based on the frequencies of short constituent sequences (SCSs) or words. A protein amino acid sequence is considered analogous to an English sentence, where SCSs are equivalent to words. Availability scores, which are defined as real SCS frequencies in the non-redundant amino acid database relative to their probabilistically expected frequencies, demonstrate the biological usage bias of SCSs. As a result, this frequency-based linguistic approach is expected to have diverse applications, such as secondary structure specifications by structure-specific SCSs and immunological adjuvants with rare or non-existent SCSs. Linguistic similarities (e.g., wide ranges of scale-free distributions) and dissimilarities (e.g., behaviors of low-rank samples) between proteins and the natural English language have been revealed in the rank-frequency relationships of SCSs or words. We have developed a web server, the SCS Package, which contains five applications for analyzing protein sequences based on the linguistic concept. These tools have the potential to assist researchers in deciphering structurally and functionally important protein sites, species-specific sequences, and functional relationships between SCSs. The SCS Package also provides researchers with a tool to construct amino acid sequences de novo based on the idiomatic usage of SCSs.

The Physics of the Metaphase Spindle.

PubMed

Oriola, David; Needleman, Daniel J; Brugués, Jan

2018-05-20

The assembly of the mitotic spindle and the subsequent segregation of sister chromatids are based on the self-organized action of microtubule filaments, motor proteins, and other microtubule-associated proteins, which constitute the fundamental force-generating elements in the system. Many of the components in the spindle have been identified, but until recently it remained unclear how their collective behaviors resulted in such a robust bipolar structure. Here, we review the current understanding of the physics of the metaphase spindle that is only now starting to emerge.

[Modeling and implementation method for the automatic biochemistry analyzer control system].

PubMed

Wang, Dong; Ge, Wan-cheng; Song, Chun-lin; Wang, Yun-guang

2009-03-01

In this paper the system structure The automatic biochemistry analyzer is a necessary instrument for clinical diagnostics. First of is analyzed. The system problems description and the fundamental principles for dispatch are brought forward. Then this text puts emphasis on the modeling for the automatic biochemistry analyzer control system. The objects model and the communications model are put forward. Finally, the implementation method is designed. It indicates that the system based on the model has good performance.

Uncovering the Fundamental Nature of Tribological Interfaces: High Resolution Tribology and Spectroscopy of Ultrahard Nanostructured Diamond Films for MEMS and Beyond

DTIC Science & Technology

2007-12-31

Wisconsin-Madison) for 2? ol !> o "S \\ % M 31 Statement of Objectives The original objectives of the proposal were as follows: 1. Obtain high-quality...performed multiple PEEM experiments on wear tracks on carbon-based films and polysilicon micro-electro mechanical systems (MEMS) devices, a comprehensive... polysilicon MEMS device known as the "nanotractor", and studies of the structure and composition of UNCD, ta-C, and nanocrystalline diamond (NCD) films. They

Emission properties of body-centered cubic elemental metal photocathodes

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

Li, Tuo; Rickman, Benjamin L., E-mail: brickm2@uic.edu; Schroeder, W. Andreas

2015-04-07

A first principles analysis of photoemission is developed to explain the lower than expected rms transverse electron momentum measured using the solenoid scan technique for the body-centered cubic Group Vb (V, Nb, and Ta) and Group VIb (Cr, Mo, and W) metallic photocathodes. The density functional theory based analysis elucidates the fundamental role that the electronic band structure (and its dispersion) plays in determining the emission properties of solid-state photocathodes and includes evaluation of work function anisotropy using a thin-slab method.

Fundamentals of Aerodynamic-Flow and Combustion Control by Plasmas

DTIC Science & Technology

2010-05-14

d’un Générateur de Plasma Volumique avec Allumage sur le Banc Mercato” Report n°RT 1/11982/ONERA/ DMAE . [3] N.B. Anikin, E.N. Kukaev, S...based on the multichannel quantum defect theory (MQDT)[5], taking into account the ro-vibrational structure of the ion and of the neutral system. A...editor), "Molecular Applications of Quantum Defect Theory", IOP (1996) 6. S. Morisset et al, Phys. Rev. A 76, 042702 (2007) 7. A. Wolf et al

Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8

NASA Astrophysics Data System (ADS)

Bohari, Mohammad H.; Yu, Xing; Zick, Yehiel; Blanchard, Helen

2016-12-01

Glycosphingolipids are ubiquitous cell surface molecules undertaking fundamental cellular processes. Lacto-N-tetraose (LNT) and lacto-N-neotetraose (LNnT) are the representative core structures for lacto- and neolacto-series glycosphingolipids. These glycolipids are the carriers to the blood group antigen and human natural killer antigens mainly found on blood cells, and are also principal components in human milk, contributing to infant health. The β-galactoside recognising galectins mediate various cellular functions of these glycosphingolipids. We report crystallographic structures of the galectin-8 N-terminal domain (galectin-8N) in complex with LNT and LNnT. We reveal the first example in which the non-reducing end of LNT binds to the primary binding site of a galectin, and provide a structure-based rationale for the significant ten-fold difference in binding affinities of galectin-8N toward LNT compared to LNnT, such a magnitude of difference not being observed for any other galectin. In addition, the LNnT complex showed that the unique Arg59 has ability to adopt a new orientation, and comparison of glycerol- and lactose-bound galectin-8N structures reveals a minimum atomic framework for ligand recognition. Overall, these results enhance our understanding of glycosphingolipids interactions with galectin-8N, and highlight a structure-based rationale for its significantly different affinity for components of biologically relevant glycosphingolipids.

Simulation of Thin-Film Damping and Thermal Mechanical Noise Spectra for Advanced Micromachined Microphone Structures.

PubMed

Hall, Neal A; Okandan, Murat; Littrell, Robert; Bicen, Baris; Degertekin, F Levent

2008-06-01

In many micromachined sensors the thin (2-10 μm thick) air film between a compliant diaphragm and backplate electrode plays a dominant role in shaping both the dynamic and thermal noise characteristics of the device. Silicon microphone structures used in grating-based optical-interference microphones have recently been introduced that employ backplates with minimal area to achieve low damping and low thermal noise levels. Finite-element based modeling procedures based on 2-D discretization of the governing Reynolds equation are ideally suited for studying thin-film dynamics in such structures which utilize relatively complex backplate geometries. In this paper, the dynamic properties of both the diaphragm and thin air film are studied using a modal projection procedure in a commonly used finite element software and the results are used to simulate the dynamic frequency response of the coupled structure to internally generated electrostatic actuation pressure. The model is also extended to simulate thermal mechanical noise spectra of these advanced sensing structures. In all cases simulations are compared with measured data and show excellent agreement-demonstrating 0.8 pN/√Hz and 1.8 μPa/√Hz thermal force and thermal pressure noise levels, respectively, for the 1.5 mm diameter structures under study which have a fundamental diaphragm resonance-limited bandwidth near 20 kHz.

Construction of a 3D structural model based on balanced cross sections and borehole data to create a fundament for further geolocial and hydrological simulations

NASA Astrophysics Data System (ADS)

Donndorf, St.; Malz, A.; Kley, J.

2012-04-01

Cross section balancing is a generally accepted method for studying fault zone geometries. We show a method for the construction of structural 3D models of complex fault zones using a combination of gOcad modelling and balanced cross sections. In this work a 3D model of the Schlotheim graben in the Thuringian basin was created from serial, parallel cross sections and existing borehole data. The Thuringian Basin is originally a part of the North German Basin, which was separated from it by the Harz uplift in the Late Cretaceous. It comprises several parallel NW-trending inversion structures. The Schlotheim graben is one example of these inverted graben zones, whose structure poses special challenges to 3D modelling. The fault zone extends 30 km in NW-SE direction and 1 km in NE-SW direction. This project was split into two parts: data management and model building. To manage the fundamental data a central database was created in ESRI's ArcGIS. The development of a scripting interface handles the data exchange between the different steps of modelling. The first step is the pre-processing of the base data in ArcGIS, followed by cross section balancing with Midland Valley's Move software and finally the construction of the 3D model in Paradigm's gOcad. With the specific aim of constructing a 3D model based on cross sections, the functionality of the gOcad software had to be extended. These extensions include pre-processing functions to create a simplified and usable data base for gOcad as well as construction functions to create surfaces based on linearly distributed data and processing functions to create the 3D model from different surfaces. In order to use the model for further geological and hydrological simulations, special requirements apply to the surface properties. The first characteristic of the surfaces should be a quality mesh, which contains triangles with maximized internal angles. To achieve that, an external meshing tool was included in gOcad. The second characteristic is that intersecting lines between two surfaces must be included in both surfaces and share nodes with them. To finish the modelling process 3D balancing was performed to further improve the model quality.

A study of voice production characteristics of astronuat speech during Apollo 11 for speaker modeling in space.

PubMed

Yu, Chengzhu; Hansen, John H L

2017-03-01

Human physiology has evolved to accommodate environmental conditions, including temperature, pressure, and air chemistry unique to Earth. However, the environment in space varies significantly compared to that on Earth and, therefore, variability is expected in astronauts' speech production mechanism. In this study, the variations of astronaut voice characteristics during the NASA Apollo 11 mission are analyzed. Specifically, acoustical features such as fundamental frequency and phoneme formant structure that are closely related to the speech production system are studied. For a further understanding of astronauts' vocal tract spectrum variation in space, a maximum likelihood frequency warping based analysis is proposed to detect the vocal tract spectrum displacement during space conditions. The results from fundamental frequency, formant structure, as well as vocal spectrum displacement indicate that astronauts change their speech production mechanism when in space. Moreover, the experimental results for astronaut voice identification tasks indicate that current speaker recognition solutions are highly vulnerable to astronaut voice production variations in space conditions. Future recommendations from this study suggest that successful applications of speaker recognition during extended space missions require robust speaker modeling techniques that could effectively adapt to voice production variation caused by diverse space conditions.

Impact of branching on the elasticity of actin networks

PubMed Central

Pujol, Thomas; du Roure, Olivia; Fermigier, Marc; Heuvingh, Julien

2012-01-01

Actin filaments play a fundamental role in cell mechanics: assembled into networks by a large number of partners, they ensure cell integrity, deformability, and migration. Here we focus on the mechanics of the dense branched network found at the leading edge of a crawling cell. We develop a new technique based on the dipolar attraction between magnetic colloids to measure mechanical properties of branched actin gels assembled around the colloids. This technique allows us to probe a large number of gels and, through the study of different networks, to access fundamental relationships between their microscopic structure and their mechanical properties. We show that the architecture does regulate the elasticity of the network: increasing both capping and branching concentrations strongly stiffens the networks. These effects occur at protein concentrations that can be regulated by the cell. In addition, the dependence of the elastic modulus on the filaments’ flexibility and on increasing internal stress has been studied. Our overall results point toward an elastic regime dominated by enthalpic rather than entropic deformations. This result strongly differs from the elasticity of diluted cross-linked actin networks and can be explained by the dense dendritic structure of lamellipodium-like networks. PMID:22689953

Variable investment, the Continuous Prisoner's Dilemma, and the origin of cooperation.

PubMed

Killingback, T; Doebeli, M; Knowlton, N

1999-09-07

Cooperation is fundamental to many biological systems. A common metaphor for studying the evolution of cooperation is the Prisoner's Dilemma, a game with two strategies: cooperate or defect. However, cooperation is rare all or nothing, and its evolution probably involves the gradual extension of initially modest degrees of assistance. The inability of the Prisoner's Dilemma to capture this basic aspect limits its use for understanding the evolutionary origins of cooperation. Here we consider a framework for cooperation based on the concept of investment: an act which is costly, but which benefits other individuals, where the cost and benefit depend on the level of investment made. In the resulting Continuous Prisoner's Dilemma the essential problem of cooperation remains: in the absence of any additional structure non-zero levels of investment cannot evolve. However, if investments are considered in a spatially structured context, selfish individuals who make arbitrarily low investments can be invaded by higher-investing mutants. This results in the mean level of investment evolving to significant levels, where it is maintained indefinitely. This approach provides a natural solution to the fundamental problem of how cooperation gradually increases from a non-cooperative state.

Plane Wave SH₀ Piezoceramic Transduction Optimized Using Geometrical Parameters.

PubMed

Boivin, Guillaume; Viens, Martin; Belanger, Pierre

2018-02-10

Structural health monitoring is a prominent alternative to the scheduled maintenance of safety-critical components. The nondispersive nature as well as the through-thickness mode shape of the fundamental shear horizontal guided wave mode (SH 0 ) make it a particularly attractive candidate for ultrasonic guided wave structural health monitoring. However, plane wave excitation of SH 0 at a high level of purity remains challenging because of the existence of the fundamental Lamb modes (A 0 and S 0 ) below the cutoff frequency thickness product of high-order modes. This paper presents a piezoelectric transducer concept optimized for plane SH 0 wave transduction based on the transducer geometry. The transducer parameter exploration was initially performed using a simple analytical model. A 3D multiphysics finite element model was then used to refine the transducer design. Finally, an experimental validation was conducted with a 3D laser Doppler vibrometer system. The analytical model, the finite element model, and the experimental measurement showed excellent agreement. The modal selectivity of SH 0 within a 20 ∘ beam opening angle at the design frequency of 425 kHz in a 1.59 mm aluminum plate was 23 dB, and the angle of the 6 dB wavefront was 86 ∘ .

Foundation, excavation and radiation shielding concepts for a 16-m large lunar telescope

NASA Technical Reports Server (NTRS)

Chua, Koon M.; Johnson, Stewart W.

1991-01-01

NASA is considering a 16-m diameter optical telescope on the moon as a part of the Space Exploration Initiative. Fundamental concepts of engineering activities on the moon and how they can be applied to the establishment of a 16-m large lunar telescope (LLT) are discussed. These fundamental concepts include the engineering response of lunar soils and how they affect construction activities, namely, drilling, blasting, ripping, digging and compaction. A mirror support structure and foundation design concept is proposed. The foundation considered is a multiple contact points spud-can type footing. It does not appear that a deep foundation or the presence of bedrock is required to achieve the telescope foundation stiffness. The LLT system will include a regolith covered housing, the size of a small room, which will contain sensitive electronic equipment including charge coupled devices which need protection from cosmic radiation effects. A brief discussion is made on radiation, radiation transport and radiation effects on electronics and on humans. Radiation protection techniques and the different emplacement schemes for the LLT instrument housing for radiation protection are suggested. A structural concept of an early lunar based telescope is also presented.

Damage Characterization and Real-Time Health Monitoring of Aerospace Materials Using Innovative NDE Tools

NASA Astrophysics Data System (ADS)

Matikas, Theodore E.

2010-07-01

The objective of this work is to characterize the damage and monitor in real-time aging structural components used in aerospace applications by means of advanced nondestructive evaluation techniques. Two novel experimental methodologies are used in this study, based on ultrasonic microscopy and nonlinear acoustics. It is demonstrated in this work that ultrasonic microscopy can be successfully utilized for local elastic property measurement, crack-size determination as well as for interfacial damage evaluation in high-temperature materials, such as metal matrix composites. Nonlinear acoustics enables real-time monitoring of material degradation in aerospace structures. When a sinusoidal ultrasonic wave of a given frequency and of sufficient amplitude is introduced into a nonharmonic solid, the fundamental wave distorts as it propagates, and therefore the second and higher harmonics of the fundamental frequency are generated. Measurements of the amplitude of these harmonics provide information on the coefficient of second- and higher-order terms of the stress-strain relation for a nonlinear solid. It is shown in this article that the material bulk nonlinear parameter for metallic alloy samples at different fatigue levels exhibits large changes compared to linear ultrasonic parameters, such as velocity and attenuation.

On a Fundamental Evaluation of a Uav Equipped with a Multichannel Laser Scanner

NASA Astrophysics Data System (ADS)

Nakano, K.; Suzuki, H.; Omori, K.; Hayakawa, K.; Kurodai, M.

2018-05-01

Unmanned aerial vehicles (UAVs), which have been widely used in various fields such as archaeology, agriculture, mining, and construction, can acquire high-resolution images at the millimetre scale. It is possible to obtain realistic 3D models using high-overlap images and 3D reconstruction software based on computer vision technologies such as Structure from Motion and Multi-view Stereo. However, it remains difficult to obtain key points from surfaces with limited texture such as new asphalt or concrete, or from areas like forests that may be concealed by vegetation. A promising method for conducting aerial surveys is through the use of UAVs equipped with laser scanners. We conducted a fundamental performance evaluation of the Velodyne VLP-16 multi-channel laser scanner equipped to a DJI Matrice 600 Pro UAV at a construction site. Here, we present our findings with respect to both the geometric and radiometric aspects of the acquired data.

A Variational Method in Out-of-Equilibrium Physical Systems

PubMed Central

Pinheiro, Mario J.

2013-01-01

We propose a new variational principle for out-of-equilibrium dynamic systems that are fundamentally based on the method of Lagrange multipliers applied to the total entropy of an ensemble of particles. However, we use the fundamental equation of thermodynamics on differential forms, considering U and S as 0-forms. We obtain a set of two first order differential equations that reveal the same formal symplectic structure shared by classical mechanics, fluid mechanics and thermodynamics. From this approach, a topological torsion current emerges of the form , where Aj and ωk denote the components of the vector potential (gravitational and/or electromagnetic) and where ω denotes the angular velocity of the accelerated frame. We derive a special form of the Umov-Poynting theorem for rotating gravito-electromagnetic systems. The variational method is then applied to clarify the working mechanism of particular devices. PMID:24316718

Evaluation of Public Fundamental Schools in Hampton, Virginia.

ERIC Educational Resources Information Center

Weber, Larry J.; McBee, Janice K.

Findings are presented which provide information about the extent to which fundamental schools (learning in a highly structured setting with instructional emphasis placed on "basic" subjects) at the elementary and junior high school levels in a large school system in Virginia have achieved their objectives. In this report, four schools…

Breaking the limits of structural and mechanical imaging of the heterogeneous structure of coal macerals

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

Collins, L.; Tselev, A.; Jesse, S.

The correlation between local mechanical (elasto-plastic) and structural (composition) properties of coal presents significant fundamental and practical interest for coal processing and the development of rheological models of coal to coke transformations and for advancing novel approaches. Here, we explore the relationship between the local structural, chemical composition and mechanical properties of coal using a combination of confocal micro-Raman imaging and band excitation atomic force acoustic microscopy (BE-AFAM) for a bituminous coal. This allows high resolution imaging (10s of nm) of mechanical properties of the heterogeneous (banded) architecture of coal and correlating them to the optical gap, average crystallite size,more » the bond-bending disorder of sp2 aromatic double bonds and the defect density. This methodology hence allows the structural and mechanical properties of coal components (lithotypes, microlithotypes, and macerals) to be understood, and related to local chemical structure, potentially allowing for knowledge-based modelling and optimization of coal utilization processes.« less

Pressure-Induced Structural Evolution and Band Gap Shifts of Organometal Halide Perovskite-Based Methylammonium Lead Chloride.

PubMed

Wang, Lingrui; Wang, Kai; Xiao, Guanjun; Zeng, Qiaoshi; Zou, Bo

2016-12-15

Organometal halide perovskites are promising materials for optoelectronic devices. Further development of these devices requires a deep understanding of their fundamental structure-property relationships. The effect of pressure on the structural evolution and band gap shifts of methylammonium lead chloride (MAPbCl 3 ) was investigated systematically. Synchrotron X-ray diffraction and Raman experiments provided structural information on the shrinkage, tilting distortion, and amorphization of the primitive cubic unit cell. In situ high pressure optical absorption and photoluminescence spectra manifested that the band gap of MAPbCl 3 could be fine-tuned to the ultraviolet region by pressure. The optical changes are correlated with pressure-induced structural evolution of MAPbCl 3 , as evidenced by band gap shifts. Comparisons between Pb-hybrid perovskites and inorganic octahedra provided insights on the effects of halogens on pressure-induced transition sequences of these compounds. Our results improve the understanding of the structural and optical properties of organometal halide perovskites.

M3Ag17(SPh)12 Nanoparticles and Their Structure Prediction.

PubMed

Wickramasinghe, Sameera; Atnagulov, Aydar; Conn, Brian E; Yoon, Bokwon; Barnett, Robert N; Griffith, Wendell P; Landman, Uzi; Bigioni, Terry P

2015-09-16

Although silver nanoparticles are of great fundamental and practical interest, only one structure has been determined thus far: M4Ag44(SPh)30, where M is a monocation, and SPh is an aromatic thiolate ligand. This is in part due to the fact that no other molecular silver nanoparticles have been synthesized with aromatic thiolate ligands. Here we report the synthesis of M3Ag17(4-tert-butylbenzene-thiol)12, which has good stability and an unusual optical spectrum. We also present a rational strategy for predicting the structure of this molecule. First-principles calculations support the structural model, predict a HOMO-LUMO energy gap of 1.77 eV, and predict a new "monomer mount" capping motif, Ag(SR)3, for Ag nanoparticles. The calculated optical absorption spectrum is in good correspondence with the measured spectrum. Heteroatom substitution was also used as a structural probe. First-principles calculations based on the structural model predicted a strong preference for a single Au atom substitution in agreement with experiment.

DFT investigation on the electronic structure of Faujasite

NASA Astrophysics Data System (ADS)

Popeneciu, Horea; Calborean, Adrian; Tudoran, Cristian; Buimaga-Iarinca, Luiza

2013-11-01

We report here first-principle pseudopotential DFT calculations to investigate relevant aspects of the electronic structure of zeolites based FAU. Fundamental molecular issues of the band-gap and electronic population analysis were reviewed under GGA/RPBE level of theory, corroborated with a DZP basis set and Troullier-Martins norm conserving pseudo-potentials. The atom-projected density of states and the analysis of HOMO-LUMO frontier orbitals at Gamma point were performed. Their electronic transfers are discussed through the alignment and relative positions of orbitals in order to determine the way that the molecule interacts with adsorbed molecules and other practical applications. Mulliken population analysis was employed for describing atomic charge distribution in the chosen systems.

Closing the research to practice gap in children's mental health: structures, solutions, and strategies.

PubMed

Jensen, Peter S; Foster, Michael

2010-03-01

Failure to apply research on effective interventions spans all areas of medicine, including children's mental health services. This article examines the policy, structural, and economic problems in which this gap originates. We identify four steps to close this gap. First, the field should develop scientific measures of the research-practice gap. Second, payors should link incentives to outcomes-based performance measures. Third, providers and others should develop improved understanding and application of effective dissemination and business models. Fourth, efforts to link EBP to clinical practice should span patient/consumers, providers, practices, plans, and purchasers. The paper discusses each of these in turn and relates them to fundamental problems of service delivery.

Effects of Network Structure, Competition and Memory Time on Social Spreading Phenomena

NASA Astrophysics Data System (ADS)

Gleeson, James P.; O'Sullivan, Kevin P.; Baños, Raquel A.; Moreno, Yamir

2016-04-01

Online social media has greatly affected the way in which we communicate with each other. However, little is known about what fundamental mechanisms drive dynamical information flow in online social systems. Here, we introduce a generative model for online sharing behavior that is analytically tractable and that can reproduce several characteristics of empirical micro-blogging data on hashtag usage, such as (time-dependent) heavy-tailed distributions of meme popularity. The presented framework constitutes a null model for social spreading phenomena that, in contrast to purely empirical studies or simulation-based models, clearly distinguishes the roles of two distinct factors affecting meme popularity: the memory time of users and the connectivity structure of the social network.

Conformational locking by design: relating strain energy with luminescence and stability in rigid metal-organic frameworks.

PubMed

Shustova, Natalia B; Cozzolino, Anthony F; Dincă, Mircea

2012-12-05

Minimization of the torsional barrier for phenyl ring flipping in a metal-organic framework (MOF) based on the new ethynyl-extended octacarboxylate ligand H(8)TDPEPE leads to a fluorescent material with a near-dark state. Immobilization of the ligand in the rigid structure also unexpectedly causes significant strain. We used DFT calculations to estimate the ligand strain energies in our and all other topologically related materials and correlated these with empirical structural descriptors to derive general rules for trapping molecules in high-energy conformations within MOFs. These studies portend possible applications of MOFs for studying fundamental concepts related to conformational locking and its effects on molecular reactivity and chromophore photophysics.

Density functional theory for field emission from carbon nano-structures.

PubMed

Li, Zhibing

2015-12-01

Electron field emission is understood as a quantum mechanical many-body problem in which an electronic quasi-particle of the emitter is converted into an electron in vacuum. Fundamental concepts of field emission, such as the field enhancement factor, work-function, edge barrier and emission current density, will be investigated, using carbon nanotubes and graphene as examples. A multi-scale algorithm basing on density functional theory is introduced. We will argue that such a first principle approach is necessary and appropriate for field emission of nano-structures, not only for a more accurate quantitative description, but, more importantly, for deeper insight into field emission. Copyright © 2015 The Author. Published by Elsevier B.V. All rights reserved.

On the representation matrices of the spin permutation group. [for atomic and molecular electronic structures

NASA Technical Reports Server (NTRS)

Wilson, S.

1977-01-01

A method is presented for the determination of the representation matrices of the spin permutation group (symmetric group), a detailed knowledge of these matrices being required in the study of the electronic structure of atoms and molecules. The method is characterized by the use of two different coupling schemes. Unlike the Yamanouchi spin algebraic scheme, the method is not recursive. The matrices for the fundamental transpositions can be written down directly in one of the two bases. The method results in a computationally significant reduction in the number of matrix elements that have to be stored when compared with, say, the standard Young tableaux group theoretical approach.

Collecting Information for Rating Global Assessment of Functioning (GAF): Sources of Information and Methods for Information Collection.

PubMed

I H, Monrad Aas

2014-11-01

Global Assessment of Functioning (GAF) is an assessment instrument that is known worldwide. It is widely used for rating the severity of illness. Results from evaluations in psychiatry should characterize the patients. Rating of GAF is based on collected information. The aim of the study is to identify the factors involved in collecting information that is relevant for rating GAF, and gaps in knowledge where it is likely that further development would play a role for improved scoring. A literature search was conducted with a combination of thorough hand search and search in the bibliographic databases PubMed, PsycINFO, Google Scholar, and Campbell Collaboration Library of Systematic Reviews. Collection of information for rating GAF depends on two fundamental factors: the sources of information and the methods for information collection. Sources of information are patients, informants, health personnel, medical records, letters of referral and police records about violence and substance abuse. Methods for information collection include the many different types of interview - unstructured, semi-structured, structured, interviews for Axis I and II disorders, semistructured interviews for rating GAF, and interviews of informants - as well as instruments for rating symptoms and functioning, and observation. The different sources of information, and methods for collection, frequently result in inconsistencies in the information collected. The variation in collected information, and lack of a generally accepted algorithm for combining collected information, is likely to be important for rated GAF values, but there is a fundamental lack of knowledge about the degree of importance. Research to improve GAF has not reached a high level. Rated GAF values are likely to be influenced by both the sources of information used and the methods employed for information collection, but the lack of research-based information about these influences is fundamental. Further development of GAF is feasible and proposals for this are presented.

The Basics: What's Essential about Theory for Community Development Practice?

ERIC Educational Resources Information Center

Hustedde, Ronald J.; Ganowicz, Jacek

2002-01-01

Relates three classical theories (structural functionalism, conflict theory, symbolic interactionism) to fundamental concerns of community development (structure, power, and shared meaning). Links these theories to Giddens' structuration theory, which connects macro and micro structures and community influence on change through cultural norms.…

Intensity of the /R/Q sub zero branch in the nu-9 fundamental of ethane. [laboratory spectra for Jupiter and Saturn IR observations

NASA Technical Reports Server (NTRS)

Tokunaga, A.; Varanasi, P.

1976-01-01

Recent observations of Jupiter and Saturn at 12 microns have shown strong emission in the nu-9 fundamental of ethane. In order to derive the abundance of ethane from the planetary observations, the absolute intensity of the (R)Q sub zero branch of the nu-9 fundamental was measured, yielding a value of 0.74 plus or minus 0.09/sq cm/atm at 300 K. In order to study the absorption features of the nu-9 fundamental, the computed rotational structure of the band was compared with the laboratory spectrum.

Fundamental aspects of the structural and electrolyte properties of Li2OHCl from simulations and experiment

NASA Astrophysics Data System (ADS)

Howard, Jason; Hood, Zachary D.; Holzwarth, N. A. W.

2017-12-01

Solid-state electrolytes that are compatible with high-capacity electrodes are expected to enable the next generation of batteries. As a promising example, Li2OHCl was reported to have good ionic conductivity and to be compatible with a lithium metal anode even at temperatures above 100 ∘C . In this work, we explore the fundamental properties of Li2OHCl by comparing simulations and experiments. Using calculations based on density functional theory, including both static and dynamic contributions through the quasiharmonic approximation, we model a tetragonal ground state, which is not observed experimentally. An ordered orthorhombic low-temperature phase was also simulated, agreeing with experimental structural analysis of the pristine electrolyte at room temperature. In addition, comparison of the ordered structures with simulations of the disordered cubic phase provide insight into the mechanisms associated with the experimentally observed abrupt increase in ionic conductivity as the system changes from its ordered orthorhombic to its disordered cubic phase. A large Haven ratio for the disordered cubic phase is inferred from the computed tracer diffusion coefficient and measured ionic conductivity, suggesting highly correlated motions of the mobile Li ions in the cubic phase of Li2OHCl . We find that the OH bond orientations participate in gating the Li ion motions which might partially explain the predicted Li-Li correlations.

CMsearch: simultaneous exploration of protein sequence space and structure space improves not only protein homology detection but also protein structure prediction.

PubMed

Cui, Xuefeng; Lu, Zhiwu; Wang, Sheng; Jing-Yan Wang, Jim; Gao, Xin

2016-06-15

Protein homology detection, a fundamental problem in computational biology, is an indispensable step toward predicting protein structures and understanding protein functions. Despite the advances in recent decades on sequence alignment, threading and alignment-free methods, protein homology detection remains a challenging open problem. Recently, network methods that try to find transitive paths in the protein structure space demonstrate the importance of incorporating network information of the structure space. Yet, current methods merge the sequence space and the structure space into a single space, and thus introduce inconsistency in combining different sources of information. We present a novel network-based protein homology detection method, CMsearch, based on cross-modal learning. Instead of exploring a single network built from the mixture of sequence and structure space information, CMsearch builds two separate networks to represent the sequence space and the structure space. It then learns sequence-structure correlation by simultaneously taking sequence information, structure information, sequence space information and structure space information into consideration. We tested CMsearch on two challenging tasks, protein homology detection and protein structure prediction, by querying all 8332 PDB40 proteins. Our results demonstrate that CMsearch is insensitive to the similarity metrics used to define the sequence and the structure spaces. By using HMM-HMM alignment as the sequence similarity metric, CMsearch clearly outperforms state-of-the-art homology detection methods and the CASP-winning template-based protein structure prediction methods. Our program is freely available for download from http://sfb.kaust.edu.sa/Pages/Software.aspx : xin.gao@kaust.edu.sa Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press.

Structures, performance, benefit, cost study. [gas turbine engines

NASA Technical Reports Server (NTRS)

Feder, E.

1981-01-01

Aircraft engine structures were studied to identify the advanced structural technologies that would provide the most benefits to future aircraft operations. A series of studies identified engine systems with the greatest potential for improvements. Based on these studies, six advanced generic structural concepts were selected and conceptually designed. The benefits of each concept were quantitatively assessed in terms of thrust specific fuel consumption, weight, cost, maintenance cost, fuel burned and direct operating cost plus interest. The probability of success of each concept was also determined. The concepts were ranked and the three most promising were selected for further study which consisted of identifying and comprehensively outlining the advanced technologies required to develop these concepts for aircraft engine application. Analytic, fabrication, and test technology developments are required. The technology programs outlined emphasize the need to provide basic, fundamental understanding of technology to obtain the benefit goals.

Microbial arms race: Ballistic "nematocysts" in dinoflagellates represent a new extreme in organelle complexity.

PubMed

Gavelis, Gregory S; Wakeman, Kevin C; Tillmann, Urban; Ripken, Christina; Mitarai, Satoshi; Herranz, Maria; Özbek, Suat; Holstein, Thomas; Keeling, Patrick J; Leander, Brian S

2017-03-01

We examine the origin of harpoon-like secretory organelles (nematocysts) in dinoflagellate protists. These ballistic organelles have been hypothesized to be homologous to similarly complex structures in animals (cnidarians); but we show, using structural, functional, and phylogenomic data, that nematocysts evolved independently in both lineages. We also recorded the first high-resolution videos of nematocyst discharge in dinoflagellates. Unexpectedly, our data suggest that different types of dinoflagellate nematocysts use two fundamentally different types of ballistic mechanisms: one type relies on a single pressurized capsule for propulsion, whereas the other type launches 11 to 15 projectiles from an arrangement similar to a Gatling gun. Despite their radical structural differences, these nematocysts share a single origin within dinoflagellates and both potentially use a contraction-based mechanism to generate ballistic force. The diversity of traits in dinoflagellate nematocysts demonstrates a stepwise route by which simple secretory structures diversified to yield elaborate subcellular weaponry.

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

Tyson, T. A.; Gao, W.; Chen, Y. -S.

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

A matrix-free implicit unstructured multigrid finite volume method for simulating structural dynamics and fluid structure interaction

NASA Astrophysics Data System (ADS)

Lv, X.; Zhao, Y.; Huang, X. Y.; Xia, G. H.; Su, X. H.

2007-07-01

A new three-dimensional (3D) matrix-free implicit unstructured multigrid finite volume (FV) solver for structural dynamics is presented in this paper. The solver is first validated using classical 2D and 3D cantilever problems. It is shown that very accurate predictions of the fundamental natural frequencies of the problems can be obtained by the solver with fast convergence rates. This method has been integrated into our existing FV compressible solver [X. Lv, Y. Zhao, et al., An efficient parallel/unstructured-multigrid preconditioned implicit method for simulating 3d unsteady compressible flows with moving objects, Journal of Computational Physics 215(2) (2006) 661-690] based on the immersed membrane method (IMM) [X. Lv, Y. Zhao, et al., as mentioned above]. Results for the interaction between the fluid and an immersed fixed-free cantilever are also presented to demonstrate the potential of this integrated fluid-structure interaction approach.

Structure of the Angiotensin Receptor Revealed by Serial Femtosecond Crystallography

DOE PAGES

Zhang, Haitao; Unal, Hamiyet; Gati, Cornelius; ...

2015-05-07

We report that angiotensin II type 1 receptor (AT 1R) is a G protein-coupled receptor that serves as a primary regulator for blood pressure maintenance. Although several anti-hypertensive drugs have been developed as AT 1R blockers (ARBs), the structural basis for AT 1R ligand-binding and regulation has remained elusive, mostly due to the difficulties of growing high quality crystals for structure determination using synchrotron radiation. By applying the recently developed method of serial femtosecond crystallography at an X-ray free-electron laser, we successfully determined the room-temperature crystal structure of the human AT 1R in complex with its selective antagonist ZD7155 atmore » 2.9 Å resolution. The AT 1R-ZD7155 complex structure revealed key structural features ofAT 1R and critical interactions for ZD7155 binding. Finally, docking simulations of the clinically used ARBs into the AT 1R structure further elucidated both the common and distinct binding modes for these anti-hypertensive drugs. Our results thereby provide fundamental insights into AT 1R structure-function relationship and structure-based drug design.« less

Structure of the Angiotensin Receptor Revealed by Serial Femtosecond Crystallography

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

Zhang, Haitao; Unal, Hamiyet; Gati, Cornelius

We report that angiotensin II type 1 receptor (AT 1R) is a G protein-coupled receptor that serves as a primary regulator for blood pressure maintenance. Although several anti-hypertensive drugs have been developed as AT 1R blockers (ARBs), the structural basis for AT 1R ligand-binding and regulation has remained elusive, mostly due to the difficulties of growing high quality crystals for structure determination using synchrotron radiation. By applying the recently developed method of serial femtosecond crystallography at an X-ray free-electron laser, we successfully determined the room-temperature crystal structure of the human AT 1R in complex with its selective antagonist ZD7155 atmore » 2.9 Å resolution. The AT 1R-ZD7155 complex structure revealed key structural features ofAT 1R and critical interactions for ZD7155 binding. Finally, docking simulations of the clinically used ARBs into the AT 1R structure further elucidated both the common and distinct binding modes for these anti-hypertensive drugs. Our results thereby provide fundamental insights into AT 1R structure-function relationship and structure-based drug design.« less

Electrifying model catalysts for understanding electrocatalytic reactions in liquid electrolytes.

PubMed

Faisal, Firas; Stumm, Corinna; Bertram, Manon; Waidhas, Fabian; Lykhach, Yaroslava; Cherevko, Serhiy; Xiang, Feifei; Ammon, Maximilian; Vorokhta, Mykhailo; Šmíd, Břetislav; Skála, Tomáš; Tsud, Nataliya; Neitzel, Armin; Beranová, Klára; Prince, Kevin C; Geiger, Simon; Kasian, Olga; Wähler, Tobias; Schuster, Ralf; Schneider, M Alexander; Matolín, Vladimír; Mayrhofer, Karl J J; Brummel, Olaf; Libuda, Jörg

2018-07-01

Electrocatalysis is at the heart of our future transition to a renewable energy system. Most energy storage and conversion technologies for renewables rely on electrocatalytic processes and, with increasing availability of cheap electrical energy from renewables, chemical production will witness electrification in the near future 1-3 . However, our fundamental understanding of electrocatalysis lags behind the field of classical heterogeneous catalysis that has been the dominating chemical technology for a long time. Here, we describe a new strategy to advance fundamental studies on electrocatalytic materials. We propose to 'electrify' complex oxide-based model catalysts made by surface science methods to explore electrocatalytic reactions in liquid electrolytes. We demonstrate the feasibility of this concept by transferring an atomically defined platinum/cobalt oxide model catalyst into the electrochemical environment while preserving its atomic surface structure. Using this approach, we explore particle size effects and identify hitherto unknown metal-support interactions that stabilize oxidized platinum at the nanoparticle interface. The metal-support interactions open a new synergistic reaction pathway that involves both metallic and oxidized platinum. Our results illustrate the potential of the concept, which makes available a systematic approach to build atomically defined model electrodes for fundamental electrocatalytic studies.

Multimodal sparse reconstruction in guided wave imaging of defects in plates

NASA Astrophysics Data System (ADS)

Golato, Andrew; Santhanam, Sridhar; Ahmad, Fauzia; Amin, Moeness G.

2016-07-01

A multimodal sparse reconstruction approach is proposed for localizing defects in thin plates in Lamb wave-based structural health monitoring. The proposed approach exploits both the sparsity of the defects and the multimodal nature of Lamb wave propagation in plates. It takes into account the variation of the defects' aspect angles across the various transducer pairs. At low operating frequencies, only the fundamental symmetric and antisymmetric Lamb modes emanate from a transmitting transducer. Asymmetric defects scatter these modes and spawn additional converted fundamental modes. Propagation models are developed for each of these scattered and spawned modes arriving at the various receiving transducers. This enables the construction of modal dictionary matrices spanning a two-dimensional array of pixels representing potential defect locations in the region of interest. Reconstruction of the region of interest is achieved by inverting the resulting linear model using the group sparsity constraint, where the groups extend across the various transducer pairs and the different modes. The effectiveness of the proposed approach is established with finite-element scattering simulations of the fundamental Lamb wave modes by crack-like defects in a plate. The approach is subsequently validated with experimental results obtained from an aluminum plate with asymmetric defects.

Providing Total Quality Fundamentals: 1995 Workshops for the NASA Lewis Research Center's Technical Services Directorate

NASA Technical Reports Server (NTRS)

Antczak, Paul; Jacinto,Gilda; Simek, Jimmy

1997-01-01

The National Aeronautics and Space Administration's (NASA) agency-wide movement to cultivate a quality workplace is the basis for Lewis Research Center to implement Total Quality Fundamentals (TQF) initiatives. The Lewis Technical Services Directorate (TSD) introduced the Total Quality Fundamentals (TQF) workshops to its work force as an opportunity to introduce the concepts and principles of TQF. These workshops also provided the participants with the opportunity to dialogue with fellow TSD employees and managers. This report describes, through the perspective of the Lewis TSD TQF Coaches, how the TQF work- shop process was accomplished in TSD. It describes the structure for addressing the need, implementation process, input the TSD Coaches provided, common themes and concerns raised, conclusions, and recommendations. The Coaches concluded that these types of workshops could be the key to open the communication channels that are necessary to help everyone at Lewis understand where they fit in the organization. TQF workshops can strengthen the participant's connection with the Mission, Vision of the Center, and Vision of the Agency. Reconunendations are given based on these conclusions that can help the TSD Quality Board develop attainable measures towards a quality workplace.

Dielectric elastomer bending tube actuators with rigid electrode structures

NASA Astrophysics Data System (ADS)

Wehrheim, F.; Schlaak, H. F.; Meyer, J.-U.

2010-04-01

The common approach for dielectric elastomer actuators (DEA) is based on the assumption that compliant electrodes are a fundamental design requirement. For tube-like applications compliant electrodes cause a change of the actuator diameter during actuation and would require additional support-structures. Focused on thinwalled actuator-tube geometries room consumption and radial stabilityr epresent crucial criteria. Following the ambition of maximum functional integration, the concept of using a rigid electrode structure arises. This structure realizes both, actuation and support characteristics. The intended rigid electrode structure is based on a stacked DEA with a non-compressible dielectric. Byactu ation, the displaced dielectric causes an overlap. This overlap serves as an indicator for geometrical limitations and has been used to extract design rules regarding the electrode size, electrode distance and maximum electrode travel. Bycons idering the strain in anydir ection, the mechanical efficiencyhas been used to define further design aspects. To verifyt he theoretic analysis, a test for determination of the compressive stress-strain-characteristics has been applied for different electrode setups. As result the geometrydep ending elastic pressure module has been formulated by implementation of a shape factor. The presented investigations consider exclusive the static behavior of a DEA-setup with rigid electrodes.

Elaboration and optimization of tellurite-based materials for raman gain application

NASA Astrophysics Data System (ADS)

Guery, Guillaume

Tellurite-based oxide glasses have been investigated as promising materials for Raman gain applications, due to their good linear and nonlinear optical properties and their wide transparency windows in the near- and midwave infrared spectral region. Furthermore, their interesting thermal properties, i.e. low glass transition temperature and ability to be drawn into optical fibers, make tellurite-based glasses excellent candidates for optical fiber amplifiers. The estimation of the strength and spectral distribution of Raman gain in materials is commonly approximated from the spontaneous Raman scattering cross-section measurement. For development of tellurite-based glasses as Raman amplifiers, understanding the relationship between glass structure, vibrational response, and nonlinear optical properties (NLO) represents a key point. This dissertation provides an answer to the fundamental question of the PhD study: "What is the impact of the glass structure on Raman gain properties of tellurite glasses?" This dissertation summarizes findings on different tellurite-based glass families: the TeO2-TaO5/2-ZnO, TeO2-BiO 3/2-ZnO and TeO2-NbO5/2 glass networks. The influence of glass modifiers has been shown on the glass' properties. Introduction of tantalum oxide or zinc oxide has been shown to increase the glass' stability against crystallization, quantified by DeltaT, where DeltaT = Tx -Tg. Added to the variation of the glass viscosity, this attribute is critical in fabricating optical fibers and for the use of these materials in fiber-based Raman gain applications. The role of ZnO in the tellurite network and the mechanism for structural modification has been determined. This addition results in not only the largest DeltaT reported for these highly nonlinear glasses to date, but coincides with a commensurate decrease of the refractive index. A hydroxyl purification has been developed that when employed, resulted in high purity preform materials exhibiting a limited absorption in the transmission bandwidth in the near infrared (NIR). A reduction of 90 % in the OH content in candidate glasses was realized and core-only optical fiber drawn from this glass exhibited optical losses lower than 10 dB/m (either at 1.55 mum or 2.0 mum). This optical attenuation in a high Raman gain material represents a first in the design of both material attributes. The role of the glass modifiers on the glass structure has been investigated by a combination of vibrational spectroscopic methods, including IR absorption, as well as Raman and hyper-Raman scatterings. Following examination of fundamental vibrations present in the paratellurite crystal alpha-TeO2, these results were extended to interpret the structure of multi-component tellurite glasses. It has been verified that the transformation of the tellurite entities TeO4→TeO3+1→TeO3 is directly related to the percentage and type of glass modifiers present in the various tellurite glass matrix. The dramatic disruption in the continuity of Te-O linkages in the tellurite glass backbone's chains during the introduction of the modifier zinc oxide, leads to a systematic reduction in glass network connectivity. This structural change is accompanied by a significant change in the glass' normalized polarization curve (IPsiV/IHV ), a paramter which quantifies directly the depolymerization ratio (DR). This metric provides direct correlation with a reduction in the ternary glass' polarizability/hyperpolarizability and a decrease in the glass' nonlinear optical properties, specifically its Raman gain response. These results have validated and extended our understanding of the important role of Te-O-Te content and short, medium and longer-scale organization of the tellurite glass network and the corresponding impact on linear and nonlinear optical response and properties. Such fundamental knowledge of the relationship between vibrational response and structure, correlated to linear and nonlinear optical properties, allows the extension of this know-how to the development of customized optical components enabled by novel glass and glass ceramic optical materials.

Instrumentation Automation for Concrete Structures; Report 1: Instrumentation Automation Techniques

DTIC Science & Technology

1986-12-01

The internat.i..onal measuring system sets up independent standards for t:hese fundamental quanti ties. All other quanti ties (force, acceleration...measurement systems are typically composed of several fundamental performing a special function (Figure 1). 3 accuracy of a quantitative measurement is...equiJ2.ID_g_:)1t 2 J, A fundament ’’ J function of ~" i1 ’r. ’’i::rumentation system is to prese~t desired measurement data to Lne user in a form that

Tungsten - Yttrium Based Nuclear Structural Materials

NASA Astrophysics Data System (ADS)

Ramana, Chintalapalle; Chessa, Jack; Martinenz, Gustavo

2013-04-01

The challenging problem currently facing the nuclear science community in this 21st century is design and development of novel structural materials, which will have an impact on the next-generation nuclear reactors. The materials available at present include reduced activation ferritic/martensitic steels, dispersion strengthened reduced activation ferritic steels, and vanadium- or tungsten-based alloys. These materials exhibit one or more specific problems, which are either intrinsic or caused by reactors. This work is focussed towards tungsten-yttrium (W-Y) based alloys and oxide ceramics, which can be utilized in nuclear applications. The goal is to derive a fundamental scientific understanding of W-Y-based materials. In collaboration with University of Califonia -- Davis, the project is designated to demonstrate the W-Y based alloys, ceramics and composites with enhanced physical, mechanical, thermo-chemical properties and higher radiation resistance. Efforts are focussed on understanding the microstructure, manipulating materials behavior under charged-particle and neutron irradiation, and create a knowledge database of defects, elemental diffusion/segregation, and defect trapping along grain boundaries and interfaces. Preliminary results will be discussed.

Recognizing Spoken Words: The Neighborhood Activation Model

PubMed Central

Luce, Paul A.; Pisoni, David B.

2012-01-01

Objective A fundamental problem in the study of human spoken word recognition concerns the structural relations among the sound patterns of words in memory and the effects these relations have on spoken word recognition. In the present investigation, computational and experimental methods were employed to address a number of fundamental issues related to the representation and structural organization of spoken words in the mental lexicon and to lay the groundwork for a model of spoken word recognition. Design Using a computerized lexicon consisting of transcriptions of 20,000 words, similarity neighborhoods for each of the transcriptions were computed. Among the variables of interest in the computation of the similarity neighborhoods were: 1) the number of words occurring in a neighborhood, 2) the degree of phonetic similarity among the words, and 3) the frequencies of occurrence of the words in the language. The effects of these variables on auditory word recognition were examined in a series of behavioral experiments employing three experimental paradigms: perceptual identification of words in noise, auditory lexical decision, and auditory word naming. Results The results of each of these experiments demonstrated that the number and nature of words in a similarity neighborhood affect the speed and accuracy of word recognition. A neighborhood probability rule was developed that adequately predicted identification performance. This rule, based on Luce's (1959) choice rule, combines stimulus word intelligibility, neighborhood confusability, and frequency into a single expression. Based on this rule, a model of auditory word recognition, the neighborhood activation model, was proposed. This model describes the effects of similarity neighborhood structure on the process of discriminating among the acoustic-phonetic representations of words in memory. The results of these experiments have important implications for current conceptions of auditory word recognition in normal and hearing impaired populations of children and adults. PMID:9504270

Materiomics: biological protein materials, from nano to macro

PubMed Central

Cranford, Steven; Buehler, Markus J

2010-01-01

Materiomics is an emerging field of science that provides a basis for multiscale material system characterization, inspired in part by natural, for example, protein-based materials. Here we outline the scope and explain the motivation of the field of materiomics, as well as demonstrate the benefits of a materiomic approach in the understanding of biological and natural materials as well as in the design of de novo materials. We discuss recent studies that exemplify the impact of materiomics – discovering Nature’s complexity through a materials science approach that merges concepts of material and structure throughout all scales and incorporates feedback loops that facilitate sensing and resulting structural changes at multiple scales. The development and application of materiomics is illustrated for the specific case of protein-based materials, which constitute the building blocks of a variety of biological systems such as tendon, bone, skin, spider silk, cells, and tissue, as well as natural composite material systems (a combination of protein-based and inorganic constituents) such as nacre and mollusk shells, and other natural multiscale systems such as cellulose-based plant and wood materials. An important trait of these materials is that they display distinctive hierarchical structures across multiple scales, where molecular details are exhibited in macroscale mechanical responses. Protein materials are intriguing examples of materials that balance multiple tasks, representing some of the most sustainable material solutions that integrate structure and function despite severe limitations in the quality and quantity of material building blocks. However, up until now, our attempts to analyze and replicate Nature’s materials have been hindered by our lack of fundamental understanding of these materials’ intricate hierarchical structures, scale-bridging mechanisms, and complex material components that bestow protein-based materials their unique properties. Recent advances in analytical tools and experimental methods allow a holistic view of such a hierarchical biological material system. The integration of these approaches and amalgamation of material properties at all scale levels to develop a complete description of a material system falls within the emerging field of materiomics. Materiomics is the result of the convergence of engineering and materials science with experimental and computational biology in the context of natural and synthetic materials. Through materiomics, fundamental advances in our understanding of structure–property–process relations of biological systems contribute to the mechanistic understanding of certain diseases and facilitate the development of novel biological, biologically inspired, and completely synthetic materials for applications in medicine (biomaterials), nanotechnology, and engineering. PMID:24198478

Prognostics Methodology for Complex Systems

NASA Technical Reports Server (NTRS)

Gulati, Sandeep; Mackey, Ryan

2003-01-01

An automatic method to schedule maintenance and repair of complex systems is produced based on a computational structure called the Informed Maintenance Grid (IMG). This method provides solutions to the two fundamental problems in autonomic logistics: (1) unambiguous detection of deterioration or impending loss of function and (2) determination of the time remaining to perform maintenance or other corrective action based upon information from the system. The IMG provides a health determination over the medium-to-longterm operation of the system, from one or more days to years of study. The IMG is especially applicable to spacecraft and both piloted and autonomous aircraft, or industrial control processes.

Shape-Memory Polymers for Biomedical Applications

NASA Astrophysics Data System (ADS)

Yakacki, Christopher M.; Gall, Ken

Shape-memory polymers (SMPs) are a class of mechanically functional "smart" materials that have generated substantial interest for biomedical applications. SMPs offer the ability to promote minimally invasive surgery, provide structural support, exert stabilizing forces, elute therapeutic agents, and biodegrade. This review focuses on several areas of biomedicine including vascular, orthopedic, and neuronal applications with respect to the progress and potential for SMPs to improve the standard of treatment in these areas. Fundamental studies on proposed biomedical SMP systems are discussed with regards to biodegradability, tailorability, sterilization, and biocompatibility. Lastly, a proposed research and development pathway for SMP-based biomedical devices is proposed based on trends in the recent literature.

Sensing analysis based on tunable Fano resonance in terahertz graphene-layered metamaterials

NASA Astrophysics Data System (ADS)

Xu, Hui; Zhao, Mingzhuo; Chen, Zhiquan; Zheng, Mingfei; Xiong, Cuixiu; Zhang, Baihui; Li, Hongjian

2018-05-01

We theoretically investigate the sensing characteristics based on tunable Fano resonance in terahertz graphene-layered metamaterials. A Fano phenomenon comes from destructive interference in a narrow frequency range, and it can lead to a high figure of merit of ˜9786. A simple model for sensitivity is presented, and the sensitivity can reach up to 7885 nm/RIU. Besides, the Fano peak becomes more and more unobvious as symmetry breaking slowly recovers. We use an appropriate theoretical theory to explain the generation of Fano phenomena. Our proposed structure and investigation may pave the way for fundamental research of nanosensor applications and designs in highly integrated optical circuits.

Minimum Surface-Effect Microgripper Design for Force-Reflective Telemanipulation of a Microscopic Environment

NASA Technical Reports Server (NTRS)

Goldfarb, Michael; Celanovic, Nikola

1996-01-01

This paper describes the fundamental physical motivations for minimum surface effect design, and presents a microgripper that incorporates a piezoelectric ceramic actuator and a flexure-based structure and transmission. The microgripper serves effectively as a one degree-of-freedom prototype of minimum surface effect micromanipulator design. Data is presented that characterizes the microgripper performance under both pure position and pure force control, followed by a discussion of the attributes and limitations of flexure-based design. The microgripper is interfaced with a force-reflective macrogripper, and the pair controlled with a hybrid position/force scheme. Data is presented that illustrates the effective operation of the telerobotic pair.

Stability and chaos in Kustaanheimo-Stiefel space induced by the Hopf fibration

NASA Astrophysics Data System (ADS)

Roa, Javier; Urrutxua, Hodei; Peláez, Jesús

2016-07-01

The need for the extra dimension in Kustaanheimo-Stiefel (KS) regularization is explained by the topology of the Hopf fibration, which defines the geometry and structure of KS space. A trajectory in Cartesian space is represented by a four-dimensional manifold called the fundamental manifold. Based on geometric and topological aspects classical concepts of stability are translated to KS language. The separation between manifolds of solutions generalizes the concept of Lyapunov stability. The dimension-raising nature of the fibration transforms fixed points, limit cycles, attractive sets, and Poincaré sections to higher dimensional subspaces. From these concepts chaotic systems are studied. In strongly perturbed problems, the numerical error can break the topological structure of KS space: points in a fibre are no longer transformed to the same point in Cartesian space. An observer in three dimensions will see orbits departing from the same initial conditions but diverging in time. This apparent randomness of the integration can only be understood in four dimensions. The concept of topological stability results in a simple method for estimating the time-scale in which numerical simulations can be trusted. Ideally, all trajectories departing from the same fibre should be KS transformed to a unique trajectory in three-dimensional space, because the fundamental manifold that they constitute is unique. By monitoring how trajectories departing from one fibre separate from the fundamental manifold a critical time, equivalent to the Lyapunov time, is estimated. These concepts are tested on N-body examples: the Pythagorean problem, and an example of field stars interacting with a binary.

Active control of turbulent boundary layer-induced sound transmission through the cavity-backed double panels

NASA Astrophysics Data System (ADS)

Caiazzo, A.; Alujević, N.; Pluymers, B.; Desmet, W.

2018-05-01

This paper presents a theoretical study of active control of turbulent boundary layer (TBL) induced sound transmission through the cavity-backed double panels. The aerodynamic model used is based on the Corcos wall pressure distribution. The structural-acoustic model encompasses a source panel (skin panel), coupled through an acoustic cavity to the radiating panel (trim panel). The radiating panel is backed by a larger acoustic enclosure (the back cavity). A feedback control unit is located inside the acoustic cavity between the two panels. It consists of a control force actuator and a sensor mounted at the actuator footprint on the radiating panel. The control actuator can react off the source panel. It is driven by an amplified velocity signal measured by the sensor. A fully coupled analytical structural-acoustic model is developed to study the effects of the active control on the sound transmission into the back cavity. The stability and performance of the active control system are firstly studied on a reduced order model. In the reduced order model only two fundamental modes of the fully coupled system are assumed. Secondly, a full order model is considered with a number of modes large enough to yield accurate simulation results up to 1000 Hz. It is shown that convincing reductions of the TBL-induced vibrations of the radiating panel and the sound pressure inside the back cavity can be expected. The reductions are more pronounced for a certain class of systems, which is characterised by the fundamental natural frequency of the skin panel larger than the fundamental natural frequency of the trim panel.

The Fundamental Plane of Ultra-Massive Galaxies at z 2

NASA Astrophysics Data System (ADS)

Conselice, Christopher

2016-10-01

The fundamental plane (FP), relating the effective radius, velocity dispersion, and surface brightness is a unique tool for studying the structural, stellar, and dark matter evolution of early-type galaxies, and can reveal how these galaxies have formed and evolved. Thus far, studies have been mostly limited to z<1.3, beyond which the absorption lines used to derive velocity dispersions are redshifted out of the optical. With the advent of sensitive NIR spectrographs on 8m telescopes, it is now possible for the first time to study the FP directly at the epoch (z 2), where lower redshift studies predict it to have formed. Through a large investment of time with the 8m - VLT NIR spectrograph X-SHOOTER, we have derived velocity dispersions for a unique sample of 11 quiescent galaxies at z=2, tripling the number of galaxies with such measurements. We propose to obtain WFC3/IR imaging of these galaxies, which when combined with our ground-based spectroscopy, will allow us to measure accurately the fundamental plane at z 2 for the first time through accurate sizes derived from surface brightness profile fits to the data. This measurement of the FP will further reveal the time-scales and methods of formation for the most massive early type galaxies. The HST observations will also allow us to measure the structures of these galaxies, to search for any extended envelopes or asymmetries, and to examine the properties of their satellite galaxies. Three of our systems also show hints of having close companions through our spectroscopy and WFC3/IR imaging is required to investigate this further.

Illustration of Step-Wise Latent Class Modeling With Covariates and Taxometric Analysis in Research Probing Children's Mental Models in Learning Sciences

PubMed Central

Stamovlasis, Dimitrios; Papageorgiou, George; Tsitsipis, Georgios; Tsikalas, Themistoklis; Vaiopoulou, Julie

2018-01-01

This paper illustrates two psychometric methods, latent class analysis (LCA) and taxometric analysis (TA) using empirical data from research probing children's mental representation in science learning. LCA is used to obtain a typology based on observed variables and to further investigate how the encountered classes might be related to external variables, where the effectiveness of classification process and the unbiased estimations of parameters become the main concern. In the step-wise LCA, the class membership is assigned and subsequently its relationship with covariates is established. This leading-edge modeling approach suffers from severe downward-biased estimations. The illustration of LCA is focused on alternative bias correction approaches and demonstrates the effect of modal and proportional class-membership assignment along with BCH and ML correction procedures. The illustration of LCA is presented with three covariates, which are psychometric variables operationalizing formal reasoning, divergent thinking and field dependence-independence, respectively. Moreover, taxometric analysis, a method designed to detect the type of the latent structural model, categorical or dimensional, is introduced, along with the relevant basic concepts and tools. TA was applied complementarily in the same data sets to answer the fundamental hypothesis about children's naïve knowledge on the matters under study and it comprises an additional asset in building theory which is fundamental for educational practices. Taxometric analysis provided results that were ambiguous as far as the type of the latent structure. This finding initiates further discussion and sets a problematization within this framework rethinking fundamental assumptions and epistemological issues. PMID:29713300

Vertical coupling and transition energies in multilayer InAs/GaAs quantum-dot structures

NASA Astrophysics Data System (ADS)

Taddei, S.; Colocci, M.; Vinattieri, A.; Bogani, F.; Franchi, S.; Frigeri, P.; Lazzarini, L.; Salviati, G.

2000-10-01

Vertically ordered quantum dots in multilayer InAs/GaAs structures have attracted large interest in recent years for device application as light emitters. Contradictory claims on the dependence of the fundamental transition energy on the interlayer separation and number of dot layers have been reported in the literature. We show that either a blueshift or a redshift of the fundamental transition energy can be observed in different coupling conditions and straightforwardly explained by including strain, indium segregation, and electron-hole Coulomb interaction, in good agreement with experimental results.

Affection of Fundamental Brain Activity By Using Sounds For Patients With Prosodic Disorders: A Pilot Study

NASA Astrophysics Data System (ADS)

Imai, Emiko; Katagiri, Yoshitada; Seki, Keiko; Kawamata, Toshio

2011-06-01

We present a neural model of the production of modulated speech streams in the brain, referred to as prosody, which indicates the limbic structure essential for producing prosody both linguistically and emotionally. This model suggests that activating the fundamental brain including monoamine neurons at the basal ganglia will potentially contribute to helping patients with prosodic disorders coming from functional defects of the fundamental brain to overcome their speech problem. To establish effective clinical treatment for such prosodic disorders, we examine how sounds affect the fundamental activity by using electroencephalographic measurements. Throughout examinations with various melodious sounds, we found that some melodies with lilting rhythms successfully give rise to the fast alpha rhythms at the electroencephalogram which reflect the fundamental brain activity without any negative feelings.

Bridge Structure Deformation Prediction Based on GNSS Data Using Kalman-ARIMA-GARCH Model

PubMed Central

Li, Xiaoqing; Wang, Yu

2018-01-01

Bridges are an essential part of the ground transportation system. Health monitoring is fundamentally important for the safety and service life of bridges. A large amount of structural information is obtained from various sensors using sensing technology, and the data processing has become a challenging issue. To improve the prediction accuracy of bridge structure deformation based on data mining and to accurately evaluate the time-varying characteristics of bridge structure performance evolution, this paper proposes a new method for bridge structure deformation prediction, which integrates the Kalman filter, autoregressive integrated moving average model (ARIMA), and generalized autoregressive conditional heteroskedasticity (GARCH). Firstly, the raw deformation data is directly pre-processed using the Kalman filter to reduce the noise. After that, the linear recursive ARIMA model is established to analyze and predict the structure deformation. Finally, the nonlinear recursive GARCH model is introduced to further improve the accuracy of the prediction. Simulation results based on measured sensor data from the Global Navigation Satellite System (GNSS) deformation monitoring system demonstrated that: (1) the Kalman filter is capable of denoising the bridge deformation monitoring data; (2) the prediction accuracy of the proposed Kalman-ARIMA-GARCH model is satisfactory, where the mean absolute error increases only from 3.402 mm to 5.847 mm with the increment of the prediction step; and (3) in comparision to the Kalman-ARIMA model, the Kalman-ARIMA-GARCH model results in superior prediction accuracy as it includes partial nonlinear characteristics (heteroscedasticity); the mean absolute error of five-step prediction using the proposed model is improved by 10.12%. This paper provides a new way for structural behavior prediction based on data processing, which can lay a foundation for the early warning of bridge health monitoring system based on sensor data using sensing technology. PMID:29351254

Bridge Structure Deformation Prediction Based on GNSS Data Using Kalman-ARIMA-GARCH Model.

PubMed

Xin, Jingzhou; Zhou, Jianting; Yang, Simon X; Li, Xiaoqing; Wang, Yu

2018-01-19

Bridges are an essential part of the ground transportation system. Health monitoring is fundamentally important for the safety and service life of bridges. A large amount of structural information is obtained from various sensors using sensing technology, and the data processing has become a challenging issue. To improve the prediction accuracy of bridge structure deformation based on data mining and to accurately evaluate the time-varying characteristics of bridge structure performance evolution, this paper proposes a new method for bridge structure deformation prediction, which integrates the Kalman filter, autoregressive integrated moving average model (ARIMA), and generalized autoregressive conditional heteroskedasticity (GARCH). Firstly, the raw deformation data is directly pre-processed using the Kalman filter to reduce the noise. After that, the linear recursive ARIMA model is established to analyze and predict the structure deformation. Finally, the nonlinear recursive GARCH model is introduced to further improve the accuracy of the prediction. Simulation results based on measured sensor data from the Global Navigation Satellite System (GNSS) deformation monitoring system demonstrated that: (1) the Kalman filter is capable of denoising the bridge deformation monitoring data; (2) the prediction accuracy of the proposed Kalman-ARIMA-GARCH model is satisfactory, where the mean absolute error increases only from 3.402 mm to 5.847 mm with the increment of the prediction step; and (3) in comparision to the Kalman-ARIMA model, the Kalman-ARIMA-GARCH model results in superior prediction accuracy as it includes partial nonlinear characteristics (heteroscedasticity); the mean absolute error of five-step prediction using the proposed model is improved by 10.12%. This paper provides a new way for structural behavior prediction based on data processing, which can lay a foundation for the early warning of bridge health monitoring system based on sensor data using sensing technology.

Teaching Ionic Solvation Structure with a Monte Carlo Liquid Simulation Program

NASA Astrophysics Data System (ADS)

Serrano, Agostinho; Santos, Flávia M. T.; Greca, Ileana M.

2004-09-01

It is shown how basic aspects of ionic solvation structure, a fundamental topic for understanding different concepts and levels of representations of chemical structure and transformation, can be taught with the help of a Monte Carlo simulation package for molecular liquids. By performing a pair distribution function analysis of the solvation of Na + , Cl , and Ar in water, it is shown that it is feasible to explain the differences in solvation for these differently charged solutes. Visual representations of the solvated ions can also be employed to help the teaching activity. This may serve as an introduction to the study of solvation structure in chemistry undergraduate courses. The advantages of using tested, up-to-date scientific simulation programs as the fundamental bricks in the construction of virtual laboratories is also discussed.

Fundamental understanding and rational design of high energy structural microbatteries

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

Wang, Yuxing; Li, Qiuyan; Cartmell, Samuel

Microbatteries play a critical role in determining the lifetime of downsized sensors, wearable devices and medical applications, etc. More often, structural batteries are required from the perspective of aesthetics and space utilization, which is however rarely explored. Herein, we discuss the fundamental issues associated with the rational design of practically usable high energy microbatteries. The tubular shape of the cell further allows the flexible integration of microelectronics. A functioning acoustic micro-transmitter continuously powered by this tubular battery has been successfully demonstrated. Multiple design features adopted to accommodate large mechanical stress during the rolling process are discussed providing new insights inmore » designing the structural microbatteries for emerging technologies.« less

Hydrocarbon-Based Polymer Electrolyte Membranes: Importance of Morphology on Ion Transport and Membrane Stability.

PubMed

Shin, Dong Won; Guiver, Michael D; Lee, Young Moo

2017-03-22

A fundamental understanding of polymer microstructure is important in order to design novel polymer electrolyte membranes (PEMs) with excellent electrochemical performance and stabilities. Hydrocarbon-based polymers have distinct microstructure according to their chemical structure. The ionic clusters and/or channels play a critical role in PEMs, affecting ion conductivity and water transport, especially at medium temperature and low relative humidity (RH). In addition, physical properties such as water uptake and dimensional swelling behavior depend strongly on polymer morphology. Over the past few decades, much research has focused on the synthetic development and microstructural characterization of hydrocarbon-based PEM materials. Furthermore, blends, composites, pressing, shear field, electrical field, surface modification, and cross-linking have also been shown to be effective approaches to obtain/maintain well-defined PEM microstructure. This review summarizes recent work on developments in advanced PEMs with various chemical structures and architecture and the resulting polymer microstructures and morphologies that arise for potential application in fuel cell, lithium ion battery, redox flow battery, actuators, and electrodialysis.

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

NASA Astrophysics Data System (ADS)

Gao, Connie W.; Allen, Joshua W.; Green, William H.; West, Richard H.

2016-06-01

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involving carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.

Conventional empirical law reverses in the phase transitions of 122-type iron-based superconductors

DOE PAGES

Yu, Zhenhai; Wang, Lin; Wang, Luhong; ...

2014-11-24

Phase transition of solid-state materials is a fundamental research topic in condensed matter physics, materials science and geophysics. It has been well accepted and widely proven that isostructural compounds containing different cations undergo same pressure-induced phase transitions but at progressively lower pressures as the cation radii increases. However, we discovered that this conventional law reverses in the structural transitions in 122-type iron-based superconductors. In this report, a combined low temperature and high pressure X-ray diffraction (XRD) measurement has identified the phase transition curves among the tetragonal (T), orthorhombic (O) and the collapsed-tetragonal (cT) phases in the structural phase diagram ofmore » the iron-based superconductor AFe 2As 2 (A = Ca, Sr, Eu, and Ba). As a result, the cation radii dependence of the phase transition pressure (T → cT) shows an opposite trend in which the compounds with larger ambient radii cations have a higher transition pressure.« less

Electronic and transport properties of Cobalt-based valence tautomeric molecules and polymers

NASA Astrophysics Data System (ADS)

Chen, Yifeng; Calzolari, Arrigo; Buongiorno Nardelli, Marco

2011-03-01

The advancement of molecular spintronics requires further understandings of the fundamental electronic structures and transport properties of prototypical spintronics molecules and polymers. Here we present a density functional based theoretical study of the electronic structures of Cobalt-based valence tautomeric molecules Co III (SQ)(Cat)L Co II (SQ)2 L and their polymers, where SQ refers to the semiquinone ligand, and Cat the catecholate ligand, while L is a redox innocent backbone ligand. The conversion from low-spin Co III ground state to high-spin Co II excited state is realized by imposing an on-site potential U on the Co atom and elongating the Co-N bond. Transport properties are subsequently calculated by extracting electronic Wannier functions from these systems and computing the charge transport in the ballistic regime using a Non-Equilibrium Green's Function (NEGF) approach. Our transport results show distinct charge transport properties between low-spin ground state and high-spin excited state, hence suggesting potential spintronics devices from these molecules and polymers such as spin valves.

Understanding the structure and structural degradation mechanisms in high-voltage lithium-ion battery cathode oxides. A review of materials diagnostics

DOE PAGES

Mohanty, Debasish; Li, Jianlin; Nagpure, Shrikant C; ...

2015-12-21

Materials diagnostic techniques are the principal tools used in the development of low-cost, high-performance electrodes for next-generation lithium-based energy storage technologies. Also, this review highlights the importance of materials diagnostic techniques in unraveling the structure and the structural degradation mechanisms in high-voltage, high-capacity oxides that have the potential to be implemented in high-energy-density lithium-ion batteries for transportation that can use renewable energy and is less-polluting than today. The rise in CO 2 concentration in the earth’s atmosphere due to the use of petroleum products in vehicles and the dramatic increase in the cost of gasoline demand the replacement of currentmore » internal combustion engines in our vehicles with environmentally friendly, carbon free systems. Therefore, vehicles powered fully/partially by electricity are being introduced into today’s transportation fleet. As power requirements in all-electric vehicles become more demanding, lithium-ion battery (LiB) technology is now the potential candidate to provide higher energy density. Moreover, discovery of layered high-voltage lithium-manganese–rich (HV-LMR) oxides has provided a new direction toward developing high-energy-density LiBs because of their ability to deliver high capacity (~250 mA h/g) and to be operated at high operating voltage (~4.7 V). Unfortunately, practical use of HV-LMR electrodes is not viable because of structural changes in the host oxide during operation that can lead to fundamental and practical issues. This article provides the current understanding on the structure and structural degradation pathways in HV-LMR oxides, and manifests the importance of different materials diagnostic tools to unraveling the key mechanism(s). Furthermore, the fundamental insights reported, might become the tools to manipulate the chemical and/or structural aspects of HV-LMR oxides for low cost, high-energy-density LiB applications.« less

GIRAF: a method for fast search and flexible alignment of ligand binding interfaces in proteins at atomic resolution

PubMed Central

Kinjo, Akira R.; Nakamura, Haruki

2012-01-01

Comparison and classification of protein structures are fundamental means to understand protein functions. Due to the computational difficulty and the ever-increasing amount of structural data, however, it is in general not feasible to perform exhaustive all-against-all structure comparisons necessary for comprehensive classifications. To efficiently handle such situations, we have previously proposed a method, now called GIRAF. We herein describe further improvements in the GIRAF protein structure search and alignment method. The GIRAF method achieves extremely efficient search of similar structures of ligand binding sites of proteins by exploiting database indexing of structural features of local coordinate frames. In addition, it produces refined atom-wise alignments by iterative applications of the Hungarian method to the bipartite graph defined for a pair of superimposed structures. By combining the refined alignments based on different local coordinate frames, it is made possible to align structures involving domain movements. We provide detailed accounts for the database design, the search and alignment algorithms as well as some benchmark results. PMID:27493524

Chemical and Biological Sensing Using Hybridization Chain Reaction.

PubMed

Augspurger, Erik E; Rana, Muhit; Yigit, Mehmet V

2018-05-25

Since the advent of its theoretical discovery more than 30 years ago, DNA nanotechnology has been used in a plethora of diverse applications in both the fundamental and applied sciences. The recent prominence of DNA-based technologies in the scientific community is largely due to the programmable features stored in its nucleobase composition and sequence, which allow it to assemble into highly advanced structures. DNA nanoassemblies are also highly controllable due to the precision of natural and artificial base-pairing, which can be manipulated by pH, temperature, metal ions, and solvent types. This programmability and molecular-level control have allowed scientists to create and utilize DNA nanostructures in one, two, and three dimensions (1D, 2D, and 3D). Initially, these 2D and 3D DNA lattices and shapes attracted a broad scientific audience because they are fundamentally captivating and structurally elegant; however, transforming these conceptual architectural blueprints into functional materials is essential for further advancements in the DNA nanotechnology field. Herein, the chemical and biological sensing applications of a 1D DNA self-assembly process known as hybridization chain reaction (HCR) are reviewed. HCR is a one-dimensional (1D) double stranded (ds) DNA assembly process initiated only in the presence of a specific short ssDNA (initiator) and two kinetically trapped DNA hairpin structures. HCR is considered an enzyme-free isothermal amplification process, which shows substantial promise and offers a wide range of applications for in situ chemical and biological sensing. Due to its modular nature, HCR can be programmed to activate only in the presence of highly specific biological and/or chemical stimuli. HCR can also be combined with different types of molecular reporters and detection approaches for various analytical readouts. While the long dsDNA HCR product may not be as structurally attractive as the 2D and 3D DNA networks, HCR is highly instrumental for applied biological, chemical, and environmental sciences, and has therefore been studied to foster a variety of objectives. In this review, we have focused on nucleic acid, protein, metabolite, and heavy metal ion detection using this 1D DNA nanotechnology via fluorescence, electrochemical, and nanoparticle-based methodologies.

Doubling the Life of Concrete Structures

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

Pesic, Batric; Raja, Krishnan; Xi, Yumping

Overall objective of the project was to study the fundamental properties of concrete (with and without steel reinforcement) with respect to chemical and physical parameters that can influence its structural integrity.

Fundamental care guided by the Careful Nursing Philosophy and Professional Practice Model©.

PubMed

Meehan, Therese Connell; Timmins, Fiona; Burke, Jacqueline

2018-02-05

To propose the Careful Nursing Philosophy and Professional Practice Model © as a conceptual and practice solution to current fundamental nursing care erosion and deficits. There is growing awareness of the crucial importance of fundamental care. Efforts are underway to heighten nurses' awareness of values that motivate fundamental care and thereby increase their attention to effective provision of fundamental care. However, there remains a need for nursing frameworks which motivate nurses to bring fundamental care values to life in their practice and strengthen their commitment to provide fundamental care. This descriptive position paper builds on the Careful Nursing Philosophy and Professional Practice Model © (Careful Nursing). Careful Nursing elaborates explicit nursing values and addresses both relational and pragmatic aspects of nursing practice, offering an ideal guide to provision of fundamental nursing care. A comparative alignment approach is used to review the capacity of Careful Nursing to address fundamentals of nursing care. Careful Nursing provides a value-based comprehensive and practical framework which can strengthen clinical nurses' ability to articulate and control their practice and, thereby, more effectively fulfil their responsibility to provide fundamental care and measure its effectiveness. This explicitly value-based nursing philosophy and professional practice model offers nurses a comprehensive, pragmatic and engaging framework designed to strengthen their control over their practice and ability to provide high-quality fundamental nursing care. © 2018 John Wiley & Sons Ltd.

On-Line Syntax: Thoughts on the Temporality of Spoken Language

ERIC Educational Resources Information Center

Auer, Peter

2009-01-01

One fundamental difference between spoken and written language has to do with the "linearity" of speaking in time, in that the temporal structure of speaking is inherently the outcome of an interactive process between speaker and listener. But despite the status of "linearity" as one of Saussure's fundamental principles, in practice little more…

Competition as a mechanism structuring mutualisms

Treesearch

Robert J. Warren; Itamar Giladi; Mark A. Bradford

2014-01-01

Summary 1. Hutchinsonian niche theory posits that organisms have fundamental abiotic resource requirements from which they are limited by competition. Organisms also have fundamental biotic requirements, such as mutualists, for which they also might compete. 2. We test this idea with a widespread ant–plant mutualism. Ant-mediated seed dispersal (myrmecochory) in...

Superconformal Algebraic Approach to Hadron Structure

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

de Teramond, Guy F.; Brodsky, Stanley J.; Deur, Alexandre

2017-03-01

Fundamental aspects of nonperturbative QCD dynamics which are not obvious from its classical Lagrangian, such as the emergence of a mass scale and confinement, the existence of a zero mass bound state, the appearance of universal Regge trajectories and the breaking of chiral symmetry are incorporated from the onset in an effective theory based on superconformal quantum mechanics and its embedding in a higher dimensional gravitational theory. In addition, superconformal quantum mechanics gives remarkable connections between the light meson and nucleon spectra. This new approach to hadron physics is also suitable to describe nonperturbative QCD observables based on structure functions,more » such as GPDs, which are not amenable to a first-principle computation. The formalism is also successful in the description of form factors, the nonperturbative behavior of the strong coupling and diffractive processes. We also discuss in this article how the framework can be extended rather successfully to the heavy-light hadron sector.« less

Autonomous learning based on cost assumptions: theoretical studies and experiments in robot control.

PubMed

Ribeiro, C H; Hemerly, E M

2000-02-01

Autonomous learning techniques are based on experience acquisition. In most realistic applications, experience is time-consuming: it implies sensor reading, actuator control and algorithmic update, constrained by the learning system dynamics. The information crudeness upon which classical learning algorithms operate make such problems too difficult and unrealistic. Nonetheless, additional information for facilitating the learning process ideally should be embedded in such a way that the structural, well-studied characteristics of these fundamental algorithms are maintained. We investigate in this article a more general formulation of the Q-learning method that allows for a spreading of information derived from single updates towards a neighbourhood of the instantly visited state and converges to optimality. We show how this new formulation can be used as a mechanism to safely embed prior knowledge about the structure of the state space, and demonstrate it in a modified implementation of a reinforcement learning algorithm in a real robot navigation task.

Supramolecular Drug Delivery Systems Based on Water-Soluble Pillar[n]arenes.

PubMed

Wu, Xuan; Gao, Lei; Hu, Xiao-Yu; Wang, Leyong

2016-06-01

Supramolecular drug delivery systems (SDDSs), including various kinds of nanostructures that are assembled by reversible noncovalent interactions, have attracted considerable attention as ideal drug carriers owing to their fascinating ability to undergo dynamic switching of structure, morphology, and function in response to various external stimuli, which provides a flexible and robust platform for designing and developing functional and smart supramolecular nano-drug carriers. Pillar[n]arenes represent a new generation of macrocyclic hosts, which have unique structures and excellent properties in host-guest chemistry. This account describes recent progress in our group to develop pillararene-based stimuli-responsive supramolecular nanostructures constructed by reversible host-guest interactions for controllable anticancer drug delivery. The potential applications of these supramolecular drug carriers in cancer treatment and the fundamental questions facing SDDSs are also discussed. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Real-Time Rover Executive based On Model-Based Reactive Planning

NASA Technical Reports Server (NTRS)

Bias, M. Bernardine; Lemai, Solange; Muscettola, Nicola; Korsmeyer, David (Technical Monitor)

2003-01-01

This paper reports on the experimental verification of the ability of IDEA (Intelligent Distributed Execution Architecture) effectively operate at multiple levels of abstraction in an autonomous control system. The basic hypothesis of IDEA is that a large control system can be structured as a collection of interacting control agents, each organized around the same fundamental structure. Two IDEA agents, a system-level agent and a mission-level agent, are designed and implemented to autonomously control the K9 rover in real-time. The system is evaluated in the scenario where the rover must acquire images from a specified set of locations. The IDEA agents are responsible for enabling the rover to achieve its goals while monitoring the execution and safety of the rover and recovering from dangerous states when necessary. Experiments carried out both in simulation and on the physical rover, produced highly promising results.

Design of synthetic biological logic circuits based on evolutionary algorithm.

PubMed

Chuang, Chia-Hua; Lin, Chun-Liang; Chang, Yen-Chang; Jennawasin, Tanagorn; Chen, Po-Kuei

2013-08-01

The construction of an artificial biological logic circuit using systematic strategy is recognised as one of the most important topics for the development of synthetic biology. In this study, a real-structured genetic algorithm (RSGA), which combines general advantages of the traditional real genetic algorithm with those of the structured genetic algorithm, is proposed to deal with the biological logic circuit design problem. A general model with the cis-regulatory input function and appropriate promoter activity functions is proposed to synthesise a wide variety of fundamental logic gates such as NOT, Buffer, AND, OR, NAND, NOR and XOR. The results obtained can be extended to synthesise advanced combinational and sequential logic circuits by topologically distinct connections. The resulting optimal design of these logic gates and circuits are established via the RSGA. The in silico computer-based modelling technology has been verified showing its great advantages in the purpose.

A Method for Capturing and Reconciling Stakeholder Intentions Based on the Formal Concept Analysis

NASA Astrophysics Data System (ADS)

Aoyama, Mikio

Information systems are ubiquitous in our daily life. Thus, information systems need to work appropriately anywhere at any time for everybody. Conventional information systems engineering tends to engineer systems from the viewpoint of systems functionality. However, the diversity of the usage context requires fundamental change compared to our current thinking on information systems; from the functionality the systems provide to the goals the systems should achieve. The intentional approach embraces the goals and related aspects of the information systems. This chapter presents a method for capturing, structuring and reconciling diverse goals of multiple stakeholders. The heart of the method lies in the hierarchical structuring of goals by goal lattice based on the formal concept analysis, a semantic extension of the lattice theory. We illustrate the effectiveness of the presented method through application to the self-checkout systems for large-scale supermarkets.

[Modulation of Kv4 channels by KChIPs clamping].

PubMed

Cui, Yuan-Yuan; Wang, Ke-Wei

2009-01-01

The rapidly inactivating (A-type) potassium channels regulate membrane excitability that defines the fundamental mechanism of neuronal functions such as pain signaling. Cytosolic Kv channel-interacting proteins KChIPs co-assemble with Kv4 (Shal) alpha subunits to form a native complex. The specific binding of auxiliary KChIPs to the Kv4 N-terminus results in modulation of gating properties, surface expression and subunit assembly of Kv4 channels. Based on recent structural efforts, here we attempt to emphasize the interaction between KChIPs and Kv4 channel complex in which a single KChIP1 molecule laterally clamps two neighboring Kv4.3 N-termini in a 4:4 manner. Greater insights into molecular mechanism between KChIPs and Kv4 interaction may provide therapeutic potentials by structure-based design of chemical compounds aimed at disrupting the protein-protein interaction for treatment of membrane excitability-related disorders.

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

Hamdani, Hazrina Yusof, E-mail: hazrina@mfrlab.org; Advanced Medical and Dental Institute, Universiti Sains Malaysia, Bertam, Kepala Batas; Artymiuk, Peter J., E-mail: p.artymiuk@sheffield.ac.uk

A fundamental understanding of the atomic level interactions in ribonucleic acid (RNA) and how they contribute towards RNA architecture is an important knowledge platform to develop through the discovery of motifs from simple arrangements base pairs, to more complex arrangements such as triples and larger patterns involving non-standard interactions. The network of hydrogen bond interactions is important in connecting bases to form potential tertiary motifs. Therefore, there is an urgent need for the development of automated methods for annotating RNA 3D structures based on hydrogen bond interactions. COnnection tables Graphs for Nucleic ACids (COGNAC) is automated annotation system using graphmore » theoretical approaches that has been developed for the identification of RNA 3D motifs. This program searches for patterns in the unbroken networks of hydrogen bonds for RNA structures and capable of annotating base pairs and higher-order base interactions, which ranges from triples to sextuples. COGNAC was able to discover 22 out of 32 quadruples occurrences of the Haloarcula marismortui large ribosomal subunit (PDB ID: 1FFK) and two out of three occurrences of quintuple interaction reported by the non-canonical interactions in RNA (NCIR) database. These and several other interactions of interest will be discussed in this paper. These examples demonstrate that the COGNAC program can serve as an automated annotation system that can be used to annotate conserved base-base interactions and could be added as additional information to established RNA secondary structure prediction methods.« less

On the nonlinear trapping nature of undamped, coherent structures in collisionless plasmas and its impact on stability

NASA Astrophysics Data System (ADS)

Schamel, Hans; Mandal, Debraj; Sharma, Devendra

2017-03-01

An outstanding notion for collisionless plasmas is the essential nonlinear character of their coherent structures, which in the stationary, weak amplitude limit are described by a continuum of cnoidal electron and ion hole modes governed by a multiparametric nonlinear dispersion relation. The well-known discrete structure of undamped linear plasma modes is seamlessly embedded in this nonlinear continuum as the microscopic texture of plasma begins to reveal itself in the high temperature collisionless plasma limit. This transforms the linear-threshold-based operating mechanism of plasma turbulence into a fundamental nonlinear, multifaceted one. Based on a comprehensive three-level description of increasing profundity, a proof of this novel dictum is presented, which makes use of the joint properties of such structures, their coherency and stationarity, and uses in succession a fluid, linear Vlasov and a full Vlasov description. It unifies discrete and continuum limits by resolving the inevitable resonant region and shows that coherent electrostatic equilibria are generally controlled by kinetic particle trapping and are hence fundamentally nonlinear. By forging a link between damped and growing wave solutions, these modes render plasma stability complex and difficult to evaluate due to the entangled pattern of the stability boundary in function and parameter space, respectively. A direct consequence is the existence of negative energy modes of arbitrarily small amplitudes in the subcritical region of the two-stream instability as well as the failure of linear Landau (Vlasov, van Kampen) theory, whenever resonant particles are involved, in addressing the onset of instability in a current-carrying plasma. Responsible for this subtle phase space behavior is hence the thresholdless omnipresence of the trapping nonlinearity originating from coherency. A high resolution, exact-mass-ratio, multispecies, and collisionless plasma simulation is employed to illustrate exemplarily how tiny seed fluctuations in phase-space can act as a triggering agent for a subcritical plasma excitation verifying an access to these modes in the noisy, collisionless plasma limit.

Structured simulation improves learning of the Fundamental Use of Surgical Energy™ curriculum: a multicenter randomized controlled trial.

PubMed

Madani, Amin; Watanabe, Yusuke; Townsend, Nicole; Pucher, Philip H; Robinson, Thomas N; Egerszegi, Patricia E; Olasky, Jaisa; Bachman, Sharon L; Park, Chan W; Amin, Nalin; Tang, David T; Haase, Erika; Bardana, Davide; Jones, Daniel B; Vassiliou, Melina; Fried, Gerald M; Feldman, Liane S

2016-02-01

Energy devices can result in devastating complications to patients. Yet, they remain poorly understood by trainees and surgeons. A single-institution pilot study suggested that structured simulation improves knowledge of the safe use of electrosurgery (ES) among trainees (Madani et al. in Surg Endosc 28(10):2772-2782, 2014). The purpose of this study was to estimate the extent to which the addition of this structured bench-top simulation improves ES knowledge across multiple surgical training programs. Trainees from 11 residency programs in Canada, the USA and UK participated in a 1-h didactic ES course, based on SAGES' Fundamental Use of Surgical Energy™ (FUSE) curriculum. They were then randomized to one of two groups: an unstructured hands-on session where trainees used ES devices (control group) or a goal-directed hands-on training session (Sim group). Pre- and post-curriculum (immediately and 3 months after) knowledge of the safe use of ES was assessed using separate examinations. Data are expressed as mean (SD) and N (%), *p < 0.05. A total of 289 (145 control; 144 Sim) trainees participated, with 186 (96 control; 90 Sim) completing the 3-month assessment. Baseline characteristics were similar between the two groups. Total score on the examination improved from 46% (10) to 84% (10)* for the entire cohort, with higher post-curriculum scores in the Sim group compared with controls [86% (9) vs. 83% (10)*]. All scores declined after 3 months, but remained higher in the Sim group [72% (18) vs. 64% (15)*]. Independent predictors of 3-month score included pre-curriculum score and participation in a goal-directed simulation. This multi-institutional study confirms that a 2-h curriculum based on the FUSE program improves surgical trainees' knowledge in the safe use of ES devices across training programs with various geographic locations and resident volumes. The addition of a structured interactive bench-top simulation component further improved learning.

RNA-TVcurve: a Web server for RNA secondary structure comparison based on a multi-scale similarity of its triple vector curve representation.

PubMed

Li, Ying; Shi, Xiaohu; Liang, Yanchun; Xie, Juan; Zhang, Yu; Ma, Qin

2017-01-21

RNAs have been found to carry diverse functionalities in nature. Inferring the similarity between two given RNAs is a fundamental step to understand and interpret their functional relationship. The majority of functional RNAs show conserved secondary structures, rather than sequence conservation. Those algorithms relying on sequence-based features usually have limitations in their prediction performance. Hence, integrating RNA structure features is very critical for RNA analysis. Existing algorithms mainly fall into two categories: alignment-based and alignment-free. The alignment-free algorithms of RNA comparison usually have lower time complexity than alignment-based algorithms. An alignment-free RNA comparison algorithm was proposed, in which novel numerical representations RNA-TVcurve (triple vector curve representation) of RNA sequence and corresponding secondary structure features are provided. Then a multi-scale similarity score of two given RNAs was designed based on wavelet decomposition of their numerical representation. In support of RNA mutation and phylogenetic analysis, a web server (RNA-TVcurve) was designed based on this alignment-free RNA comparison algorithm. It provides three functional modules: 1) visualization of numerical representation of RNA secondary structure; 2) detection of single-point mutation based on secondary structure; and 3) comparison of pairwise and multiple RNA secondary structures. The inputs of the web server require RNA primary sequences, while corresponding secondary structures are optional. For the primary sequences alone, the web server can compute the secondary structures using free energy minimization algorithm in terms of RNAfold tool from Vienna RNA package. RNA-TVcurve is the first integrated web server, based on an alignment-free method, to deliver a suite of RNA analysis functions, including visualization, mutation analysis and multiple RNAs structure comparison. The comparison results with two popular RNA comparison tools, RNApdist and RNAdistance, showcased that RNA-TVcurve can efficiently capture subtle relationships among RNAs for mutation detection and non-coding RNA classification. All the relevant results were shown in an intuitive graphical manner, and can be freely downloaded from this server. RNA-TVcurve, along with test examples and detailed documents, are available at: http://ml.jlu.edu.cn/tvcurve/ .

Uncertainty about fundamentals and herding behavior in the FOREX market

NASA Astrophysics Data System (ADS)

Kaltwasser, Pablo Rovira

2010-03-01

It is traditionally assumed in finance models that the fundamental value of assets is known with certainty. Although this is an appealing simplifying assumption it is by no means based on empirical evidence. A simple heterogeneous agent model of the exchange rate is presented. In the model, traders do not observe the true underlying fundamental exchange rate and as a consequence they base their trades on beliefs about this variable. Despite the fact that only fundamentalist traders operate in the market, the model belongs to the heterogeneous agent literature, as traders have different beliefs about the fundamental rate.

Towards Long-Range RNA Structure Prediction in Eukaryotic Genes.

PubMed

Pervouchine, Dmitri D

2018-06-15

The ability to form an intramolecular structure plays a fundamental role in eukaryotic RNA biogenesis. Proximate regions in the primary transcripts fold into a local secondary structure, which is then hierarchically assembled into a tertiary structure that is stabilized by RNA-binding proteins and long-range intramolecular base pairings. While the local RNA structure can be predicted reasonably well for short sequences, long-range structure at the scale of eukaryotic genes remains problematic from the computational standpoint. The aim of this review is to list functional examples of long-range RNA structures, to summarize current comparative methods of structure prediction, and to highlight their advances and limitations in the context of long-range RNA structures. Most comparative methods implement the “first-align-then-fold” principle, i.e., they operate on multiple sequence alignments, while functional RNA structures often reside in non-conserved parts of the primary transcripts. The opposite “first-fold-then-align” approach is currently explored to a much lesser extent. Developing novel methods in both directions will improve the performance of comparative RNA structure analysis and help discover novel long-range structures, their higher-order organization, and RNA⁻RNA interactions across the transcriptome.

QCD Precision Measurements and Structure Function Extraction at a High Statistics, High Energy Neutrino Scattering Experiment:. NuSOnG

NASA Astrophysics Data System (ADS)

Adams, T.; Batra, P.; Bugel, L.; Camilleri, L.; Conrad, J. M.; de Gouvêa, A.; Fisher, P. H.; Formaggio, J. A.; Jenkins, J.; Karagiorgi, G.; Kobilarcik, T. R.; Kopp, S.; Kyle, G.; Loinaz, W. A.; Mason, D. A.; Milner, R.; Moore, R.; Morfín, J. G.; Nakamura, M.; Naples, D.; Nienaber, P.; Olness, F. I.; Owens, J. F.; Pate, S. F.; Pronin, A.; Seligman, W. G.; Shaevitz, M. H.; Schellman, H.; Schienbein, I.; Syphers, M. J.; Tait, T. M. P.; Takeuchi, T.; Tan, C. Y.; van de Water, R. G.; Yamamoto, R. K.; Yu, J. Y.

We extend the physics case for a new high-energy, ultra-high statistics neutrino scattering experiment, NuSOnG (Neutrino Scattering On Glass) to address a variety of issues including precision QCD measurements, extraction of structure functions, and the derived Parton Distribution Functions (PDF's). This experiment uses a Tevatron-based neutrino beam to obtain a sample of Deep Inelastic Scattering (DIS) events which is over two orders of magnitude larger than past samples. We outline an innovative method for fitting the structure functions using a parametrized energy shift which yields reduced systematic uncertainties. High statistics measurements, in combination with improved systematics, will enable NuSOnG to perform discerning tests of fundamental Standard Model parameters as we search for deviations which may hint of "Beyond the Standard Model" physics.

Nanoscale measurements of unoccupied band dispersion in few-layer graphene

PubMed Central

Jobst, Johannes; Kautz, Jaap; Geelen, Daniël; Tromp, Rudolf M.; van der Molen, Sense Jan

2015-01-01

The properties of any material are fundamentally determined by its electronic band structure. Each band represents a series of allowed states inside a material, relating electron energy and momentum. The occupied bands, that is, the filled electron states below the Fermi level, can be routinely measured. However, it is remarkably difficult to characterize the empty part of the band structure experimentally. Here, we present direct measurements of unoccupied bands of monolayer, bilayer and trilayer graphene. To obtain these, we introduce a technique based on low-energy electron microscopy. It relies on the dependence of the electron reflectivity on incidence angle and energy and has a spatial resolution ∼10 nm. The method can be easily applied to other nanomaterials such as van der Waals structures that are available in small crystals only. PMID:26608712

Structural-change localization and monitoring through a perturbation-based inverse problem.

PubMed

Roux, Philippe; Guéguen, Philippe; Baillet, Laurent; Hamze, Alaa

2014-11-01

Structural-change detection and characterization, or structural-health monitoring, is generally based on modal analysis, for detection, localization, and quantification of changes in structure. Classical methods combine both variations in frequencies and mode shapes, which require accurate and spatially distributed measurements. In this study, the detection and localization of a local perturbation are assessed by analysis of frequency changes (in the fundamental mode and overtones) that are combined with a perturbation-based linear inverse method and a deconvolution process. This perturbation method is applied first to a bending beam with the change considered as a local perturbation of the Young's modulus, using a one-dimensional finite-element model for modal analysis. Localization is successful, even for extended and multiple changes. In a second step, the method is numerically tested under ambient-noise vibration from the beam support with local changes that are shifted step by step along the beam. The frequency values are revealed using the random decrement technique that is applied to the time-evolving vibrations recorded by one sensor at the free extremity of the beam. Finally, the inversion method is experimentally demonstrated at the laboratory scale with data recorded at the free end of a Plexiglas beam attached to a metallic support.

Molnets: An Artificial Chemistry Based on Neural Networks

NASA Technical Reports Server (NTRS)

Colombano, Silvano; Luk, Johnny; Segovia-Juarez, Jose L.; Lohn, Jason; Clancy, Daniel (Technical Monitor)

2002-01-01

The fundamental problem in the evolution of matter is to understand how structure-function relationships are formed and increase in complexity from the molecular level all the way to a genetic system. We have created a system where structure-function relationships arise naturally and without the need of ad hoc function assignments to given structures. The idea was inspired by neural networks, where the structure of the net embodies specific computational properties. In this system networks interact with other networks to create connections between the inputs of one net and the outputs of another. The newly created net then recomputes its own synaptic weights, based on anti-hebbian rules. As a result some connections may be cut, and multiple nets can emerge as products of a 'reaction'. The idea is to study emergent reaction behaviors, based on simple rules that constitute a pseudophysics of the system. These simple rules are parameterized to produce behaviors that emulate chemical reactions. We find that these simple rules show a gradual increase in the size and complexity of molecules. We have been building a virtual artificial chemistry laboratory for discovering interesting reactions and for testing further ideas on the evolution of primitive molecules. Some of these ideas include the potential effect of membranes and selective diffusion according to molecular size.

Kolakoski sequence as an element to radiate giant forward and backward second harmonic signals

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

Parvini, T. S.; Tehranchi, M. M., E-mail: m-hamidi@sbu.ac.ir, E-mail: teranchi@sbu.ac.ir; Laser and Plasma Research Institute, Shahid Beheshti University, Tehran

2015-11-14

We propose a novel type of aperiodic one-dimensional photonic crystal structures which can be used for generating giant forward and backward second harmonic signals. The studied structure is formed by stacking together the air and nonlinear layers according to the Kolakoski self-generation scheme in which each nonlinear layer contains a pair of antiparallel 180° poled LiNbO{sub 3} crystal layers. For different generation stages of the structure, conversion efficiencies of forward and backward second harmonic waves have been calculated by nonlinear transfer matrix method. Numerical simulations show that conversion efficiencies in the Kolakoski-based multilayer are larger than the perfect ones formore » at least one order of magnitude. Especially for 33rd and 39th generation stages, forward second harmonic wave are 42 and 19 times larger, respectively. In this paper, we validate the strong fundamental field enhancement and localization within Kolakoski-based multilayer due to periodicity breaking which consequently leads to very strong radiation of backward and forward second harmonic signals. Following the applications of analogous aperiodic structures, we expect that Kolakosi-based multilayer can play a role in optical parametric devices such as multicolor second harmonic generators with high efficiency.« less

The Metabolic Core and Catalytic Switches Are Fundamental Elements in the Self-Regulation of the Systemic Metabolic Structure of Cells

PubMed Central

De la Fuente, Ildefonso M.; Cortes, Jesus M.; Perez-Pinilla, Martin B.; Ruiz-Rodriguez, Vicente; Veguillas, Juan

2011-01-01

Background Experimental observations and numerical studies with dissipative metabolic networks have shown that cellular enzymatic activity self-organizes spontaneously leading to the emergence of a metabolic core formed by a set of enzymatic reactions which are always active under all environmental conditions, while the rest of catalytic processes are only intermittently active. The reactions of the metabolic core are essential for biomass formation and to assure optimal metabolic performance. The on-off catalytic reactions and the metabolic core are essential elements of a Systemic Metabolic Structure which seems to be a key feature common to all cellular organisms. Methodology/Principal Findings In order to investigate the functional importance of the metabolic core we have studied different catalytic patterns of a dissipative metabolic network under different external conditions. The emerging biochemical data have been analysed using information-based dynamic tools, such as Pearson's correlation and Transfer Entropy (which measures effective functionality). Our results show that a functional structure of effective connectivity emerges which is dynamical and characterized by significant variations of bio-molecular information flows. Conclusions/Significance We have quantified essential aspects of the metabolic core functionality. The always active enzymatic reactions form a hub –with a high degree of effective connectivity- exhibiting a wide range of functional information values being able to act either as a source or as a sink of bio-molecular causal interactions. Likewise, we have found that the metabolic core is an essential part of an emergent functional structure characterized by catalytic modules and metabolic switches which allow critical transitions in enzymatic activity. Both, the metabolic core and the catalytic switches in which also intermittently-active enzymes are involved seem to be fundamental elements in the self-regulation of the Systemic Metabolic Structure. PMID:22125607

Thiolated DNA-based chemistry and control in the structure and optical properties of plasmonic nanoparticles with ultrasmall interior nanogap.

PubMed

Oh, Jeong-Wook; Lim, Dong-Kwon; Kim, Gyeong-Hwan; Suh, Yung Doug; Nam, Jwa-Min

2014-10-08

The design, synthesis and control of plasmonic nanostructures, especially with ultrasmall plasmonically coupled nanogap (∼1 nm or smaller), are of significant interest and importance in chemistry, nanoscience, materials science, optics and nanobiotechnology. Here, we studied and established the thiolated DNA-based synthetic principles and methods in forming and controlling Au core-nanogap-Au shell structures [Au-nanobridged nanogap particles (Au-NNPs)] with various interior nanogap and Au shell structures. We found that differences in the binding affinities and modes among four different bases to Au core, DNA sequence, DNA grafting density and chemical reagents alter Au shell growth mechanism and interior nanogap-forming process on thiolated DNA-modified Au core. Importantly, poly A or poly C sequence creates a wider interior nanogap with a smoother Au shell, while poly T sequence results in a narrower interstitial interior gap with rougher Au shell, and on the basis of the electromagnetic field calculation and experimental results, we unraveled the relationships between the width of the interior plasmonic nanogap, Au shell structure, electromagnetic field and surface-enhanced Raman scattering. These principles and findings shown in this paper offer the fundamental basis for the thiolated DNA-based chemistry in forming and controlling metal nanostructures with ∼1 nm plasmonic gap and insight in the optical properties of the plasmonic NNPs, and these plasmonic nanogap structures are useful as strong and controllable optical signal-generating nanoprobes.

Preliminary analysis of seismic anisotropy in the uppermost mantle beneath NW Pacific reveled by the Normal Oceanic Mantle project

NASA Astrophysics Data System (ADS)

Takeo, A.; Isse, T.; Nishida, K.; Kawakatsu, H.; Shiobara, H.; Sugioka, H.; Ito, A.; Utada, H.

2013-12-01

Seismic structure including anisotropy in the oceanic uppermost mantle is essential for understanding deformation related to plate tectonics. Recent reports of a sharp discontinuity between the high velocity LID and the low velocity zone (LVZ) especially emphasize the importance of observation in oceanic basins apart from ridges and hotspots for determining the structure including LID and LVZ. In this study, we analyzed records of four broadband ocean bottom seismometers (BBOBSs) deployed in the northwest of Shatsky Rise by the pilot observation of the Normal Oceanic Mantle (NOMan) project in 2010-2011. We first measured average phase velocities of surface waves at periods of 5-30 s by the ambient-noise cross correlation method. Based on the method of Takeo et al. (in prep. GJI), we analyzed fundamental- and first higher- mode Rayleigh waves and fundamental-mode Love wave simultaneously by waveform fitting after the correction of clock delay. At periods of 25-100 s, we measured phase velocities of fundamental-mode surface waves by the array analysis of teleseismic waveforms. We then determined one-dimensional radially anisotropic structure beneath the array by the method of Takeo et al. (2013, JGR). The obtained structure shows transition from LID to LVZ at depths of 50-80km, which is marginally consistent with the depth of ~80 km estimated by a receiver function analysis at WP2 station situated at east of the studies area (Kawakatsu et al., 2009). The velocity gradient in the LID is almost zero and inconsistent with the simple cooling model of homogeneous oceanic plate. The average intensity of S-wave radial anisotropy at depths of ~10-220 km is ~3% (VSH>VSV). We further estimated S-wave azimuthal anisotropy at depths of ~30-100 km by analyzing teleseismic fundamental-mode Rayleigh waves at periods of 25-50 s. The intensity of anisotropy is 2-3%. The fastest direction is about N35W, close to that of Sn-wave velocity around WP2 station obtained by a refraction survey (Shinohara et al., 2008), and indicates the presence of past mantle flow almost perpendicular to the ancient mid ocean ridge or the presence of current mantle flow parallel to the plate motion at depths of 30-100 km. We will further analyze new records after the recovery of 13 BBOBSs in August 2013 and will present more detailed structure around Shatsky Rise. BBOBS stations of pilot observation of NOMan project (white crosses), WP2 station (circle), isochrons (white lines). Black bars show the fastest directions of Rayleigh wave at periods of 25-50 s and the fastest direction of Sn-wave velocity (Shinohara et al. 2008).

Defect classification in sparsity-based structural health monitoring

NASA Astrophysics Data System (ADS)

Golato, Andrew; Ahmad, Fauzia; Santhanam, Sridhar; Amin, Moeness G.

2017-05-01

Guided waves have gained popularity in structural health monitoring (SHM) due to their ability to inspect large areas with little attenuation, while providing rich interactions with defects. For thin-walled structures, the propagating waves are Lamb waves, which are a complex but well understood type of guided waves. Recent works have cast the defect localization problem of Lamb wave based SHM within the sparse reconstruction framework. These methods make use of a linear model relating the measurements with the scene reflectivity under the assumption of point-like defects. However, most structural defects are not perfect points but tend to assume specific forms, such as surface cracks or internal cracks. Knowledge of the "type" of defects is useful in the assessment phase of SHM. In this paper, we present a dual purpose sparsity-based imaging scheme which, in addition to accurately localizing defects, properly classifies the defects present simultaneously. The proposed approach takes advantage of the bias exhibited by certain types of defects toward a specific Lamb wave mode. For example, some defects strongly interact with the anti-symmetric modes, while others strongly interact with the symmetric modes. We build model based dictionaries for the fundamental symmetric and anti-symmetric wave modes, which are then utilized in unison to properly localize and classify the defects present. Simulated data of surface and internal defects in a thin Aluminum plate are used to validate the proposed scheme.

Plasmonic- and dielectric-based structural coloring: from fundamentals to practical applications

NASA Astrophysics Data System (ADS)

Lee, Taejun; Jang, Jaehyuck; Jeong, Heonyeong; Rho, Junsuk

2018-01-01

Structural coloring is production of color by surfaces that have microstructure fine enough to interfere with visible light; this phenomenon provides a novel paradigm for color printing. Plasmonic color is an emergent property of the interaction between light and metallic surfaces. This phenomenon can surpass the diffraction limit and achieve near unlimited lifetime. We categorize plasmonic color filters according to their designs (hole, rod, metal-insulator-metal, grating), and also describe structures supported by Mie resonance. We discuss the principles, and the merits and demerits of each color filter. We also discuss a new concept of color filters with tunability and reconfigurability, which enable printing of structural color to yield dynamic coloring at will. Approaches for dynamic coloring are classified as liquid crystal, chemical transition and mechanical deformation. At the end of review, we highlight a scale-up of fabrication methods, including nanoimprinting, self-assembly and laser-induced process that may enable real-world application of structural coloring.

Recent advances on the understanding of structural and composition evolution of LMR cathodes for Li-ion batteries

DOE PAGES

Yan, Pengfei; Zheng, Jianming; Xiao, Jie; ...

2015-06-08

Lithium-rich, magnesium-rich (LMR) cathode materials have been regarded as one of the very promising cathodes for Li-ion battery applications. However, their practical application is still limited by several challenges, especially by their limited electrochemical stability rate capability. In this work, we present recent progresses on the understanding of the structural and composition evolution of LMR cathode materials with emphasis being placed on the correlation between structural/chemical evolution and electrochemical properties. In particular, using Li [Li 0.2Ni 0.2Mn 0.6O 2 as a typical example, we clearly illustrate the structural characteristics of the pristine materials and their dependence on the materials processingmore » history, cycling induced structural degradation/chemical partition and their correlation with degradation of electrochemical performance. The fundamental understanding obtained in this work may also guide the design and preparation of new cathode materials based on ternary system of transitional metal oxide.« less

FUNdamentals: A Research-Based, Phonics Tutorial Learn To Read Program. [Educational Kit].

ERIC Educational Resources Information Center

Eller, Jeanie

FUNdamentals puts the "FUN" back in learning for all age groups. FUNdamentals is an intensive, systematic phonics learn-to-read program that helps improve comprehension, spelling, and penmanship. It is designed for use by every age group. Formulated for use with learners from preschool through adult ages, FUNdamentals is the key to…

The Role for an Evaluator: A Fundamental Issue for Evaluation of Education and Social Programs

ERIC Educational Resources Information Center

Luo, Heng

2010-01-01

This paper discusses one of the fundamental issues in education and social program evaluation: the proper role for an evaluator. Based on respective and comparative analysis of five theorists' positions on this fundamental issue, this paper reveals how different perspectives on other fundamental issues in evaluation such as value, methods, use and…

Improving Nursing Students' Learning Outcomes in Fundamentals of Nursing Course through Combination of Traditional and e-Learning Methods.

PubMed

Sheikhaboumasoudi, Rouhollah; Bagheri, Maryam; Hosseini, Sayed Abbas; Ashouri, Elaheh; Elahi, Nasrin

2018-01-01

Fundamentals of nursing course are prerequisite to providing comprehensive nursing care. Despite development of technology on nursing education, effectiveness of using e-learning methods in fundamentals of nursing course is unclear in clinical skills laboratory for nursing students. The aim of this study was to compare the effect of blended learning (combining e-learning with traditional learning methods) with traditional learning alone on nursing students' scores. A two-group post-test experimental study was administered from February 2014 to February 2015. Two groups of nursing students who were taking the fundamentals of nursing course in Iran were compared. Sixty nursing students were selected as control group (just traditional learning methods) and experimental group (combining e-learning with traditional learning methods) for two consecutive semesters. Both groups participated in Objective Structured Clinical Examination (OSCE) and were evaluated in the same way using a prepared checklist and questionnaire of satisfaction. Statistical analysis was conducted through SPSS software version 16. Findings of this study reflected that mean of midterm (t = 2.00, p = 0.04) and final score (t = 2.50, p = 0.01) of the intervention group (combining e-learning with traditional learning methods) were significantly higher than the control group (traditional learning methods). The satisfaction of male students in intervention group was higher than in females (t = 2.60, p = 0.01). Based on the findings, this study suggests that the use of combining traditional learning methods with e-learning methods such as applying educational website and interactive online resources for fundamentals of nursing course instruction can be an effective supplement for improving nursing students' clinical skills.

Improving Nursing Students' Learning Outcomes in Fundamentals of Nursing Course through Combination of Traditional and e-Learning Methods

PubMed Central

Sheikhaboumasoudi, Rouhollah; Bagheri, Maryam; Hosseini, Sayed Abbas; Ashouri, Elaheh; Elahi, Nasrin

2018-01-01

Background: Fundamentals of nursing course are prerequisite to providing comprehensive nursing care. Despite development of technology on nursing education, effectiveness of using e-learning methods in fundamentals of nursing course is unclear in clinical skills laboratory for nursing students. The aim of this study was to compare the effect of blended learning (combining e-learning with traditional learning methods) with traditional learning alone on nursing students' scores. Materials and Methods: A two-group post-test experimental study was administered from February 2014 to February 2015. Two groups of nursing students who were taking the fundamentals of nursing course in Iran were compared. Sixty nursing students were selected as control group (just traditional learning methods) and experimental group (combining e-learning with traditional learning methods) for two consecutive semesters. Both groups participated in Objective Structured Clinical Examination (OSCE) and were evaluated in the same way using a prepared checklist and questionnaire of satisfaction. Statistical analysis was conducted through SPSS software version 16. Results: Findings of this study reflected that mean of midterm (t = 2.00, p = 0.04) and final score (t = 2.50, p = 0.01) of the intervention group (combining e-learning with traditional learning methods) were significantly higher than the control group (traditional learning methods). The satisfaction of male students in intervention group was higher than in females (t = 2.60, p = 0.01). Conclusions: Based on the findings, this study suggests that the use of combining traditional learning methods with e-learning methods such as applying educational website and interactive online resources for fundamentals of nursing course instruction can be an effective supplement for improving nursing students' clinical skills. PMID:29861761