STM-electroluminescence from clustered C3N4 nanodomains synthesized via green chemistry process.

Science.gov (United States)

Andrade, E P; Costa, B B A; Chaves, C R; de Paula, A M; Cury, L A; Malachias, A; Safar, G A M

2018-01-01

A Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and synchrotron X-ray diffraction study on clustered C 3 N 4 nanoparticles (nanoflakes) is conducted on green-chemistry synthesized samples obtained from chitosan through high power sonication. Morphological aspects and the electronic characteristics are investigated. The observed bandgap of the nanoflakes reveals the presence of different phases in the material. Combining STM morphology, STS spectra and X-ray diffraction (XRD) results one finds that the most abundant phase is graphitic C 3 N 4 . A high density of defects is inferred from the XRD measurements. Additionally, STM-electroluminescence (STMEL) is detected in C 3 N 4 nanoflakes deposited on a gold substrate. The tunneling current creates photons that are three times more energetic than the tunneling electrons of the STM sample. We ponder about the two most probable models to explain the observed photon emission energy: either a nonlinear optical phenomenon or a localized state emission. Copyright © 2017 Elsevier B.V. All rights reserved.

Superconducting phase transition in STM tips

Energy Technology Data Exchange (ETDEWEB)

Eltschka, Matthias; Jaeck, Berthold; Assig, Maximilian; Etzkorn, Markus; Ast, Christian R. [Max Planck Institute for Solid State Research, Stuttgart (Germany); Kern, Klaus [Max Planck Institute for Solid State Research, Stuttgart (Germany); Ecole Polytechnique Federale de Lausanne (Switzerland)

2015-07-01

The superconducting properties of systems with dimensions comparable to the London penetration depth considerably differ from macroscopic systems. We have studied the superconducting phase transition of vanadium STM tips in external magnetic fields. Employing Maki's theory we extract the superconducting parameters such as the gap or the Zeeman splitting from differential conductance spectra. While the Zeeman splitting follows the theoretical description of a system with s=1/2 and g=2, the superconducting gaps as well as the critical fields depend on the specific tip. For a better understanding of the experimental results, we solve a one dimensional Usadel equation modeling the superconducting tip as a cone with the opening angle α in an external magnetic field. We find that only a small region at the apex of the tip is superconducting in high magnetic fields and that the order of the phase transition is directly determined by α. Further, the spectral broadening increases with α indicating an intrinsic broadening mechanism due to the conical shape of the tip. Comparing these calculations to our experimental results reveals the order of the superconducting phase transition of the STM tips.

The STM program at TRW

International Nuclear Information System (INIS)

Lazar, N.H.; Barter, J.; Boehmer, H.

1984-01-01

The objective of the STM is to evaluate the feasibility of confining a plasma stably in a symmetric mirror configuration by taking advantage of the use of diamagnetic plasma rings as in EBT to produce an MHD stable configuration. Experiments using both ECRH and ICRH in a five-cell, symmetric tandem-mirror facility STM are described. Streaming plasmas are produced, cw, in the end cells. Multiple frequency heating at electron cyclotron resonance efficiently generate the stabilizing ''ELMO'' rings. Ion cyclotron heating of ions in the stream results in ion energies in excess of 300eV with an energetic tail extending past 3keV. Monte Carlo simulations of the heating processes will be described. (author). 3 refs, 6 figs

Applicability of Socio-Technical Model (STM in Working System of Modern Organizations

Directory of Open Access Journals (Sweden)

Rosmaini Tasmin

2011-10-01

Full Text Available Knowledge has been identified as one of the most important resources in organization that contributes to competitive advantages. Organizations around the world realize and put into practice an approach that bases on technological and sociological aspects to fill-up the gaps in their workplaces. The Socio-Technical Model (STM is an established organizational model introduced by Trist since 1960s at Tavistock Institute, London. It relates two most common components exist in all organizations, namely social systems (human and technological systems (information technology, machinery and equipment in organizations over many decades. This paper reviews the socio-technical model from various perspectives of its developmental stages and ideas written by researchers. Therefore, several literature reviews on socio-technical model have been compiled and discussed to justify whether its basic argument matches with required practices in Techno-Social environments. Through a socio-technical perspective on Knowledge Management, this paper highlights the interplay between social systems and technological system. It also suggests that management and leadership play critical roles in establishing the techno-social perspective for the effective assimilation of Knowledge Management practices.

Functionalized molecules studied by STM: motion, switching and reactivity

International Nuclear Information System (INIS)

Grill, Leonhard

2008-01-01

Functionalized molecules represent the central issue of molecular nanotechnology. Scanning tunnelling microscopy (STM) is a powerful method to investigate such molecules, because it allows us to image them with sub-molecular resolution when adsorbed on a surface and can be used at the same time as a tool to manipulate single molecules in a controlled way. Such studies permit deep insight into the conformational, mechanical and electronic structure and thus functionalities of the molecules. In this review, recent experiments on specially designed molecules, acting as model systems for molecular nanotechnology, are reviewed. The presented studies focus on key functionalities: lateral rolling and hopping motion on a supporting surface, the switching behaviour of azobenzene derivatives by using the STM tip and the controlled reactivity of molecular side groups, which enable the formation of covalently bound molecular nanoarchitectures. (topical review)

Scanning tunneling microscopy III theory of STM and related scanning probe methods

CERN Document Server

Güntherodt, Hans-Joachim

1993-01-01

While the first two volumes on Scanning Tunneling Microscopy (STM) and its related scanning probe (SXM) methods have mainly concentrated on intro­ ducing the experimental techniques, as well as their various applications in different research fields, this third volume is exclusively devoted to the theory of STM and related SXM methods. As the experimental techniques including the reproducibility of the experimental results have advanced, more and more theorists have become attracted to focus on issues related to STM and SXM. The increasing effort in the development of theoretical concepts for STM/SXM has led to considerable improvements in understanding the contrast mechanism as well as the experimental conditions necessary to obtain reliable data. Therefore, this third volume on STM/SXM is not written by theorists for theorists, but rather for every scientist who is not satisfied by just obtaining real­ space images of surface structures by STM/SXM. After a brief introduction (Chap. 1), N. D. Lang first co...

Mergers, Acquisitions, and Access: STM Publishing Today

Science.gov (United States)

Robertson, Kathleen

Electronic publishing is changing the fundamentals of the entire printing/delivery/archive system that has served as the distribution mechanism for scientific research over the last century and a half. The merger-mania of the last 20 years, preprint pools, and publishers' licensing and journals-bundling plans are among the phenomena impacting the scientific information field. Science-Technology-Medical (STM) publishing is experiencing a period of intense consolidation and reorganization. This paper gives an overview of the economic factors fueling these trends, the major STM publishers, and the government regulatory bodies that referee this industry in Europe, Canada, and the USA.

Haptic-STM: a human-in-the-loop interface to a scanning tunneling microscope.

Science.gov (United States)

Perdigão, Luís M A; Saywell, Alex

2011-07-01

The operation of a haptic device interfaced with a scanning tunneling microscope (STM) is presented here. The user moves the STM tip in three dimensions by means of a stylus attached to the haptic instrument. The tunneling current measured by the STM is converted to a vertical force, applied to the stylus and felt by the user, with the user being incorporated into the feedback loop that controls the tip-surface distance. A haptic-STM interface of this nature allows the user to feel atomic features on the surface and facilitates the tactile manipulation of the adsorbate/substrate system. The operation of this device is demonstrated via the room temperature STM imaging of C(60) molecules adsorbed on an Au(111) surface in ultra-high vacuum.

A combined optical, SEM and STM study of growth spirals

Indian Academy of Sciences (India)

Some novel results of a combined sequential study of growth spirals on the basal surface of the richly polytypic CdI2 crystals by optical microscopy, scanning electron microscopy (SEM) and scanning tunneling microscopy (STM) are presented and discussed. In confirmation of the known structural data, the STM pictures ...

Surface science approach to Pt/carbon model catalysts: XPS, STM and microreactor studies

Science.gov (United States)

Motin, Abdul Md.; Haunold, Thomas; Bukhtiyarov, Andrey V.; Bera, Abhijit; Rameshan, Christoph; Rupprechter, Günther

2018-05-01

Pt nanoparticles supported on carbon are an important technological catalyst. A corresponding model catalyst was prepared by physical vapor deposition (PVD) of Pt on sputtered HOPG (highly oriented pyrolytic graphite). The carbon substrate before and after sputtering as well as the Pt/HOPG system before and after Pt deposition and annealing were examined by XPS and STM. This yielded information on the surface density of defects, which serve as nucleation centres for Pt, and on the size distribution (mean size/height) of the Pt nanoparticles. Two different model catalysts were prepared with mean sizes of 2.0 and 3.6 nm, both turned out to be stable upon UHV-annealing to 300 °C. After transfer into a UHV-compatible flow microreactor and subsequent cleaning in UHV and under mbar pressure, the catalytic activity of the Pt/HOPG model system for ethylene hydrogenation was examined under atmospheric pressure flow conditions. This enabled to determine temperature-dependent conversion rates, turnover frequencies (TOFs) and activation energies. The catalytic results obtained are in line with the characteristics of technological Pt/C, demonstrating the validity of the current surface science based model catalyst approach.

Prototyping the HPDP Chip on STM 65 NM Process

Science.gov (United States)

Papadas, C.; Dramitinos, G.; Syed, M.; Helfers, T.; Dedes, G.; Schoellkopf, J.-P.; Dugoujon, L.

2011-08-01

Currently Astrium GmbH is involved in the of the High Performance Data Processor (HPDP) development programme for telecommunication applications under a DLR contract. The HPDP project targets the implementation of the commercially available reconfigurable array processor IP (XPP from the company PACT XPP Technologies) in a radiation hardened technology.In the current complementary development phase funded under the Greek Industry Incentive scheme, it is planned to prototype the HPDP chip in commercial STM 65 nm technology. In addition it is also planned to utilise the preliminary radiation hardened components of this library wherever possible.This abstract gives an overview of the HPDP chip architecture, the basic details of the STM 65 nm process and the design flow foreseen for the prototyping. The paper will discuss the development and integration issues involved in using the STM 65 nm process (also including the available preliminary radiation hardened components) for designs targeted to be used in space applications.

Investigation of broken symmetry of Sb/Cu(111) surface alloys by VT-STM

CSIR Research Space (South Africa)

Ndlovu, GF

2011-07-01

Full Text Available This work present an in situ Variable Temperature Scanning Tunneling Microscopy (VT-STM) study of the Sb/Cu(111) system studied at various temperatures. The experimental data support a structural model in which Sb atoms displace up to 1...

Temperature suppression of STM-induced desorption of hydrogen on Si(100) surfaces

DEFF Research Database (Denmark)

Thirstrup, C.; Sakurai, M.; Nakayama, T.

1999-01-01

The temperature dependence of hydrogen (H) desorption from Si(100) H-terminated surfaces by a scanning tunneling microscope (STM) is reported for negative sample bias. It is found that the STM induced H desorption rate (R) decreases several orders of magnitude when the substrate temperature...

STM in liquids. A scanning tunneling microscopy exploration of the liquid-solid interface.

NARCIS (Netherlands)

Hulsken, B.

2008-01-01

This thesis reports of a series of atomic scale studies of the liquid-solid interface, carried out with a home-built liquid-cell Scanning Tunnelling Microscope (STM). The home-built liquid-cell STM is described in detail, and numerical simulations are performed to show that surfaces immersed in the

Using Ab-Initio Calculations to Appraise Stm-Based - and Kink-Formation Energies

Science.gov (United States)

Feibelman, Peter J.

2001-03-01

Ab-initio total energies can and should be used to test the typically model-dependent results of interpreting STM morphologies. The benefits of such tests are illustrated here by ab-initio energies of step- and kink-formation on Pb and Pt(111) which show that the STM-based values of the kink energies must be revised. On Pt(111), the computed kink-energies for (100)- and (111)-microfacet steps are about 0.25 and 0.18 eV. These results imply a specific ratio of formation energies for the two step types, namely 1.14, in excellent agreement with experiment. If kink-formation actually cost the same energy on the two step types, an inference drawn from scanning probe observations of step wandering,(M. Giesen et al., Surf. Sci. 366, 229(1996).) this ratio ought to be 1. In the case of Pb(111), though computed energies to form (100)- and (111)-microfacet steps agree with measurement, the ab-initio kink-formation energies for the two step types, 41 and 60 meV, are 40-50% below experimental values drawn from STM images.(K. Arenhold et al., Surf. Sci. 424, 271(1999).) The discrepancy results from interpreting the images with a step-stiffness vs. kink-energy relation appropriate to (100) but not (111) surfaces. Good agreement is found when proper account of the trigonal symmetry of Pb(111) is taken in reinterpreting the step-stiffness data.

Deducing 2D crystal structure at the liquid/solid interface with atomic resolution: a combined STM and SFG study.

Science.gov (United States)

McClelland, Arthur A; Ahn, Seokhoon; Matzger, Adam J; Chen, Zhan

2009-11-17

Sum frequency generation vibrational spectroscopy (SFG) has been applied to study two-dimensional (2D) crystals formed by an isophthalic acid diester on the surface of highly oriented pyrolytic graphite, providing complementary measurements to scanning tunneling microscopy (STM) and computational modeling. SFG results indicate that both aromatic and C=O groups in the 2D crystal tilt from the surface. This study demonstrates that a combination of SFG and STM techniques can be used to gain a more complete picture of 2D crystal structure, and it is necessary to consider solvent-2D crystal interactions and dynamics in the computer models to achieve an accurate representation of interfacial structure.

STM study on surface relief, ultra-fine structure and transformation mechanism of bainite in steels

International Nuclear Information System (INIS)

Fang, H.S.; Yang, Z.G.; Wang, J.J.; Zheng, Y.K.

1995-01-01

The surface reliefs accompanying lower bainite transformation in steels have been studied by scanning tunneling microscopy (STM). With the exclusive vertical resolution of STM, we observed that the surface relief associated with bainite is a group of surface reliefs related to subplates, subunits and sub-subunits. From the bainite plate to the sub-subunit in it, the reliefs are in a tent shape, not of invariant plane strain (IPS) type. The fine structure of bainite in a steel has also been shown by STM and TEM that bainite plate is composed of subplates, subunits and sub-subunits. On the basis of the fine structure inside a bainitic ferrite plate observed under STM, sympathetic-ledgewise mechanism of bainite formation is proposed. (orig.)

changing stm curricula for the information age: implications

African Journals Online (AJOL)

TONIA CLARE

information age, rationale and strategies for changing STM curricular, implications for the teacher and then conclusion. ... learner under the guidance of a school to effect a change in the ..... education international conference. Ofele, C. N. ...

Theoretical STM maps of curved graphene

Science.gov (United States)

Diniz, G. S.; Ulloa, S. E.

2010-03-01

We calculate the effect of curvature on the electronic states in monolayer graphene, considering a local ripple along different directions on the plane. The curvature introduces hybridization between σ and π bands and affects the electronic structure and associated wave functions, even opening a gap of the order of few meV at the Dirac point. Our calculation uses a non-orthogonal four-orbital tight-binding representation up to nearest-neighbors, which fully describes the electronic states of the structure. We focus this study on the analysis of theoretical STM maps for different ripple directions and radius of curvature. We discuss the appearance of a well defined pattern in the STM map near the Dirac point, which is strongly modified when the graphene is rippled along different directions, and discuss this effect in terms of a geometric Berry phase. Although it is difficult experimentally to produce and control a well defined direction for the graphene ripple, recent experiments suggest that this structure may be possible in suspended samples with stressors along the edges [1].[4pt] [1] W. Bao et al., Nature Nanotech. 4, 562 (2009).

Electronic structure, total energies, and STM images of clean and oxygen-covered Al(111)

DEFF Research Database (Denmark)

Jacobsen, Joachim; Hammer, Bjørk; Jacobsen, Karsten Wedel

1995-01-01

an attractive O-O interaction is identified together with an enhancement in the dipole moment induced per O atom. Finally, Tersoff-Hamann-type scanning tunneling microscopy (STM) topographs are derived based on the calculated one-electron wave functions and spectra. For the clean Al(111) a theoretical STM...

Design and implementation of FIR filter based on STM32F103x

Directory of Open Access Journals (Sweden)

ZHENG Zhendong

2013-08-01

Full Text Available STM32F1 series processors are based on ST's new generation of ARM cortex-M3 processor core to meet the industrial control，medical，consumer and other areas of application requirements． At the same time，ST companies also launched a set of DSP function library for the STM32F10x series，enabling common digital signal processing． In this paper，a set of FIRfilter design and implementation is proposed for the STM32F10x series． Experiments show that the integer filter coefficients can replace the float coefficients in FIRfilter design． When the sampling rate is 256 samples per second，the FIRfilter is of the order of 128 and takes only 1．5ms to finish filtering 256 samples，fully meeting the design requirements for industrial control systems．

Cryogenic STM in 3D vector magnetic fields realized through a rotatable insert.

Science.gov (United States)

Trainer, C; Yim, C M; McLaren, M; Wahl, P

2017-09-01

Spin-polarized scanning tunneling microscopy (SP-STM) performed in vector magnetic fields promises atomic scale imaging of magnetic structure, providing complete information on the local spin texture of a sample in three dimensions. Here, we have designed and constructed a turntable system for a low temperature STM which in combination with a 2D vector magnet provides magnetic fields of up to 5 T in any direction relative to the tip-sample geometry. This enables STM imaging and spectroscopy to be performed at the same atomic-scale location and field-of-view on the sample, and most importantly, without experiencing any change on the tip apex before and after field switching. Combined with a ferromagnetic tip, this enables us to study the magnetization of complex magnetic orders in all three spatial directions.

Upgrade of the Surface Spectrometer at NEPOMUC for PAES, XPS and STM Investigations

Science.gov (United States)

Zimnik, S.; Lippert, F.; Hugenschmidt, C.

2014-04-01

The characterization of the elemental composition of surfaces is of great importance for the understanding of many surface processes, such as surface segregation or oxidation. Positron-annihilation-induced Auger Electron Spectroscopy (PAES) is a powerful technique for gathering information about the elemental composition of only the topmost atomic layer of a sample. The upgraded surface spectrometer at NEPOMUC (NEtron induced POsitron source MUniCh) enables a comprehensive surface analysis with the complementary techniques STM, XPS and PAES. A new X-ray source for X-ray induced photoelectron spectroscopy (XPS) was installed to gather additional information on oxidation states. A new scanning tunneling microscope (STM) is used as a complementary method to investigate with atomic resolution the surface electron density. The combination of PAES, XPS and STM allows the characterization of both the elemental composition, and the surface topology.

STM-induced light emission from vacuum-evaporated gold film

Indian Academy of Sciences (India)

Administrator

... investigations of individual surface nanostructures,10–12 light to be detected is fundamentally weak owing to the low efficiency of excitation by tunnel- ... signal level can be improved by measuring STM-LE in a prism-coupled configuration.

Control by hardware of government systems for laser diodes with STM32F4 and Peltier cells; Control por hardware de sistemas de gobierno para diodos laser con STM32F4 y celdas Peltier

Energy Technology Data Exchange (ETDEWEB)

Ulloa Solano, Natalia Irina

2013-07-01

A low cost prototype of a government system is developed for laser diodes with STM32F4 microcontrollers and Peltier cooling. Commercial and homemade government system (with STM32F4 microcontrollers ) are investigated with the objective of adequately control the current of a laser diode. Characteristics of STM32F4 microcontrollers are described. The low cost platforms as the Arduino and Raspberry Pi are compared. A bibliographical and documentary compilation is realized for the preliminary study of the components and tools to use in the prototype. The theory related with the heat transfer between a laser diode and the outside, and a Peltier cell and outside is summarized. A heat dissipation model is proposed of a system formed by a laser diode and Peltier cell. A control system of current and fed back temperature is designed and implemented to allow adequately control laser diodes without and with photodiode (2 pickups and 3 pickups respectively). The viability of control with free software is studied and corroborated. The temperature control of the laser diode using a Peltier cell as cooler has been possible through a simple control of ON/OFF mode. The integration of devices such as ADC, DAC, timers and facilities of STM32F4 microcontroller, have allowed to optimize costs by hardware, save time and costs. Also, the incorporation of the Cortex-M4 processor has optimized the consumption of operational resources and has executed much of its instruction set of efficient way. Because of this, the project has complied with its maximum as to low cost is concerned [Spanish] Un prototipo de bajo costo de un sistema de gobierno es desarrollado para diodos laser con microcontroladores STM32F4 y enfriamiento con Peltier. Los sistemas de gobierno comerciales y caseros (con microcontroladores STM32F4) son investigados con el objetivo de controlar adecuadamente la corriente de un diodo laser. Las caracteristicas de los microcontroladores STM32F4 son descritas. Las plataformas de

Direct, coherent and incoherent intermediate state tunneling and scanning tunnel microscopy (STM)

International Nuclear Information System (INIS)

Halbritter, J.

1997-01-01

Theory and experiment in tunneling are still qualitative in nature, which hold true also for the latest developments in direct-, resonant-, coherent- and incoherent-tunneling. Those tunnel processes have recently branched out of the field of ''solid state tunnel junctions'' into the fields of scanning tunnel microscopy (STM), single electron tunneling (SET) and semiconducting resonant tunnel structures (RTS). All these fields have promoted the understanding of tunneling in different ways reaching from the effect of coherence, of incoherence and of charging in tunneling, to spin flip or inelastic effects. STM allows not only the accurate measurements of the tunnel current and its voltage dependence but, more importantly, the easy quantification via the (quantum) tunnel channel conductance and the distance dependence. This new degree of freedom entering exponentially the tunnel current allows an unique identification of individual tunnel channels and their quantification. In STM measurements large tunnel currents are observed for large distances d > 1 nm explainable by intermediate state tunneling. Direct tunneling with its reduced tunnel time and reduced off-site Coulomb charging bridges distances below 1 nm, only. The effective charge transfer process with its larger off-site and on-site charging at intermediate states dominates tunnel transfer in STM, biology and chemistry over distances in the nm-range. Intermediates state tunneling becomes variable range hopping conduction for distances larger than d > 2 nm, for larger densities of intermediate states n 1 (ε) and for larger temperatures T or voltages U, still allowing high resolution imaging

Defects of SiC nanowires studied by STM and STS

International Nuclear Information System (INIS)

Busiakiewicz, A.; Huczko, A.; Dudziak, T.; Puchalski, M.; Kozlowski, W.; Cichomski, M.; Cudzilo, S.; Klusek, Z.; Olejniczak, W.

2010-01-01

For the first time the scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) are employed to investigate the morphology and the surface electronic structure of the defective silicon carbide nanowires (SiCNWs). The SiCNWs produced via combustion synthesis route are studied. The STS measurements are performed in the current imaging tunneling spectroscopy mode (CITS) that allows us to determine the correlation between STM topography and the local density of electronic states (LDOS) around the bend of an isolated SiCNW. The measurements reveal fluctuations of LDOS in the vicinity of the defect. The local graphitisation and the inhomogeneous concentration of doping impurities (e.g. nitrogen, oxygen) are considered to explain these fluctuations of metallic-like LDOS in the vicinity of the SiCNW's deformation.

Josephson current at atomic scale: Tunneling and nanocontacts using a STM

International Nuclear Information System (INIS)

Rodrigo, J.G.; Crespo, V.; Vieira, S.

2006-01-01

Using a scanning tunneling microscope, STM, with a superconducting tip, we have measured the Josephson current in atomic size tunnel junctions and contacts with a small number of quantum channels of conduction. We analyze our results in terms of the Ivanchenko and Zil'berman model for phase diffusion. The effect of the thermal energy and the electromagnetic environment on the Josephson current is discussed in terms of the transmissions of the individual quantum channels. These results suppose an initial step to the control of Scanning Josephson Spectroscopy at atomic level

Surface assisted oxidation of flat lying organic molecules - a real-time STM study

Energy Technology Data Exchange (ETDEWEB)

Waldmann, Thomas; Roos, Michael; Breitruck, Achim; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany); Kuenzel, Daniela; Gross, Axel [Institute of Theoretical Chemistry, Ulm University, D-89069 Ulm (Germany)

2010-07-01

Using time resolved scanning tunneling microscopy (STM), we tested the interaction of O{sub 2} from gas-phase with ordered adlayers of the Bis(terpyridine) derivative 2,4'-BTP on Au(111), Ag(111) and graphite (HOPG) surfaces at T = 300 K. At an O{sub 2} pressure of 10{sup -5} mbar, the adlayers on Ag(111) undergo chemical and structural changes. These include modifications of the 2-pyridyl rings of individual 2,4'-BTP adsorbates and rearrangements of the hydrogen bonded adlayer. Since we do not observe similar changes on HOPG and Au(111), we assume that Ag(111) acts as catalyst for the underlying processes. Based on our STM data in combination with DFT calculations, we conclude that the observed reaction is pyridyl-N-oxide formation. Furthermore, we derive reaction yields, enantiomeric excess, reaction rates and reaction orders from the time-resolved STM data.

In Situ Studies of Surface Mobility on Noble Metal Model Catalysts Using STM and XPS at Ambient Pressure

Energy Technology Data Exchange (ETDEWEB)

Butcher, Derek Robert [Univ. of California, Berkeley, CA (United States)

2010-06-01

High Pressure Scanning Tunneling Microscopy (HP-STM) and Ambient Pressure X-ray Photoelectron Spectroscopy were used to study the structural properties and catalytic behavior of noble metal surfaces at high pressure. HP-STM was used to study the structural rearrangement of the top most atomic surface layer of the metal surfaces in response to changes in gas pressure and reactive conditions. AP-XPS was applied to single crystal and nanoparticle systems to monitor changes in the chemical composition of the surface layer in response to changing gas conditions. STM studies on the Pt(100) crystal face showed the lifting of the Pt(100)-hex surface reconstruction in the presence of CO, H₂, and Benzene. The gas adsorption and subsequent charge transfer relieves the surface strain caused by the low coordination number of the (100) surface atoms allowing the formation of a (1 x 1) surface structure commensurate with the bulk terminated crystal structure. The surface phase change causes a transformation of the surface layer from hexagonal packing geometry to a four-fold symmetric surface which is rich in atomic defects. Lifting the hex reconstruction at room temperature resulted in a surface structure decorated with 2-3 nm Pt adatom islands with a high density of step edge sites. Annealing the surface at a modest temperature (150 C) in the presence of a high pressure of CO or H₂ increased the surface diffusion of the Pt atoms causing the adatom islands to aggregate reducing the surface concentration of low coordination defect sites. Ethylene hydrogenation was studied on the Pt(100) surface using HP-STM. At low pressure, the lifting of the hex reconstruction was observed in the STM images. Increasing the ethylene pressure to 1 Torr, was found to regenerate the hexagonally symmetric reconstructed phase. At room temperature ethylene undergoes a structural rearrangement to form ethylidyne. Ethylidyne preferentially binds at the three-fold hollow sites, which

Hydrogen absorption in epitaxial Nb-films. A STM-study; Wasserstoffabsorption in epitaktischen Niobschichten. Eine STM-Studie

Energy Technology Data Exchange (ETDEWEB)

Noerthemann, K.

2006-07-01

In this work the phase transition of the system Niobium Hydrogen in thin films was investigated. The epitaxial Niobium films were fabricated using ion sputtering on sapphire substrates. The changes due to the hydrogen loading were observed with the scanning tunnel microscope (STM). With this method it is possible to detect the changes in the nanometer scale. With help of theoretical models it was possible to establish volume changes through the measured surface data. This is possible due to the linear relationship between hydrogen concentration and volume expansion. Comparisons between experimental data and calculations, which were done using the 'finite element method', allows to establish that the hydride precipitates are of cylindrical form. Thereafter the time continuously measurements of nuclei formation and precipitations growth was investigated. The growth is described through a 'Johnson-Mehl-Avrami' kinetic. Whereas coherent precipitations at first stage were observed, afterwards at higher Hydrogen concentration these transformed to incoherent. This coherent - incoherent transition occur at precipitation sizes which shows a film thickness dependency. (orig.)

Comparison of GaP and PH3 as dopant sources for STM-based device fabrication

International Nuclear Information System (INIS)

Goh, Kuan Eng Johnson; Oberbeck, L; Butcher, M J; Curson, N J; Ruess, F J; Simmons, M Y

2007-01-01

We present a comparative study of the use of a GaP solid source as an alternative to gaseous PH 3 for controlled phosphorus δ-doping of lithographic patterns on H:Si(001) fabricated by scanning tunnelling microscopy (STM). Whilst our electrical studies show that P δ-doping of Si with the GaP solid source and gaseous PH 3 result in essentially the same electrical characteristics, our STM studies reveal that P 2 molecules from the GaP source exhibit a lower selectivity between bare Si(001) and H:Si(001) compared to PH 3 molecules. We discuss the significance of our findings in the context of fabricating nanoscale P dopant devices in Si using STM-based lithography

Fabrication and Characterization of CNT-Based Smart Tips for Synchrotron Assisted STM

Directory of Open Access Journals (Sweden)

Hui Yan

2015-01-01

Full Text Available Determination of chemical composition along with imaging at the atomic level provides critical information towards fundamental understanding of the surface of materials and, hence, yields the capability to design new materials by tailoring their ultimate functionalities. Synchrotron X-ray assisted scanning tunneling microscopy (SX-STM is a promising new technique to achieve real space chemically specific atomic mapping. Chemical sensitivity of SX-STM relies on excitation of core electrons by incident X-rays when their energy is tuned to an absorption edge of a particular element. However, along with core-level electrons, photoelectrons are also excited, which yield additional current and interfere with the tunneling current. To reduce the background photoelectron current and to improve ultimate resolution of SX-STM, we have developed and fabricated multiwalled carbon nanotubes (MWCNT based “smart tips” using plasma enhanced chemical vapor deposition and focused ion beam milling. The newly developed CNT-based smart tips, characterized step by step by scanning electron microscopy (SEM during the fabrication process, demonstrate good performance and provide opportunity for realizing atomic chemical mapping.

Electronic structure and simulated STM images of non-honeycomb phosphorene allotropes

Science.gov (United States)

Kaur, Sumandeep; Kumar, Ashok; Srivastava, Sunita; Tankeshwar, K.

2018-04-01

We have investigated the electronic structure and simulated STM images of various non-honeycomb allotropes of phosphorene namely ɛ - P, ζ - P, η - P and θ - P, within combined density functional theory and Tersoff-Hamman approach. All these allotropes are found to be energetically stable and electronically semiconductingwith bandgap ranging between 0.5-1.2 eV. Simulated STM images show distinctly different features in terms of the topography. Different maximas in the distance-height profile indicates the difference in buckling of atoms in these allotropes. Distinctly different images obtained in this study may be useful to differentiate various allotropes that can serve as fingerprints to identify various allotropes during the synthesis of phosphorene.

Control by hardware of government systems for laser diodes with STM32F4 and Peltier cells

International Nuclear Information System (INIS)

Ulloa Solano, Natalia Irina

2013-01-01

A low cost prototype of a government system is developed for laser diodes with STM32F4 microcontrollers and Peltier cooling. Commercial and homemade government system (with STM32F4 microcontrollers ) are investigated with the objective of adequately control the current of a laser diode. Characteristics of STM32F4 microcontrollers are described. The low cost platforms as the Arduino and Raspberry Pi are compared. A bibliographical and documentary compilation is realized for the preliminary study of the components and tools to use in the prototype. The theory related with the heat transfer between a laser diode and the outside, and a Peltier cell and outside is summarized. A heat dissipation model is proposed of a system formed by a laser diode and Peltier cell. A control system of current and fed back temperature is designed and implemented to allow adequately control laser diodes without and with photodiode (2 pickups and 3 pickups respectively). The viability of control with free software is studied and corroborated. The temperature control of the laser diode using a Peltier cell as cooler has been possible through a simple control of ON/OFF mode. The integration of devices such as ADC, DAC, timers and facilities of STM32F4 microcontroller, have allowed to optimize costs by hardware, save time and costs. Also, the incorporation of the Cortex-M4 processor has optimized the consumption of operational resources and has executed much of its instruction set of efficient way. Because of this, the project has complied with its maximum as to low cost is concerned [es

Electroluminescence spectra of an STM-tip-induced quantum dot

NARCIS (Netherlands)

Croitoru, M.D.; Gladilin, V.N.; Fomin, V.; Devreese, J.T.; Kemerink, M.; Koenraad, P.M.; Sauthoff, K.; Wolter, J.H.; Long, A.R.; Davies, J.H.

2003-01-01

We analyse the electroluminescence measurements performed on a STM-tipImduced quantum dot in a GaAs layer. Positions of electroluminescence peaks, attributed to the electron-hole recombination in the quantum dot, are very sensitive to the electron tunnelling current even in the case when the current

Bulk Copper Electrodeposition on Gold Imaged by In Situ STM

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov; Bech-Nielsen, Gregers; Møller, Per

1996-01-01

Electrochemical measurements were carried out simultaneously with acquisition of in situ STM images of copper electrodeposition at low cathodic overpotentials and subsequent dissolution from the underlying polycrystalline gold surfaces. The morphologies of the copper deposits were examined...

Direct Fabrication of Carbon Nanotubes STM Tips by Liquid Catalyst-Assisted Microwave Plasma-Enhanced Chemical Vapor Deposition

Directory of Open Access Journals (Sweden)

Fa-Kuei Tung

2009-01-01

Full Text Available Direct and facile method to make carbon nanotube (CNT tips for scanning tunneling microscopy (STM is presented. Cobalt (Co particles, as catalysts, are electrochemically deposited on the apex of tungsten (W STM tip for CNT growth. It is found that the quantity of Co particles is well controlled by applied DC voltage, concentration of catalyst solution, and deposition time. Using optimum growth condition, CNTs are successfully synthesized on the tip apex by catalyst-assisted microwave-enhanced chemical vapor deposition (CA-MPECVD. A HOPG surface is clearly observed at an atomic scale using the present CNT-STM tip.

STM, SECPM, AFM and Electrochemistry on Single Crystalline Surfaces

Directory of Open Access Journals (Sweden)

Ulrich Stimming

2010-08-01

Full Text Available Scanning probe microscopy (SPM techniques have had a great impact on research fields of surface science and nanotechnology during the last decades. They are used to investigate surfaces with scanning ranges between several 100 mm down to atomic resolution. Depending on experimental conditions, and the interaction forces between probe and sample, different SPM techniques allow mapping of different surface properties. In this work, scanning tunneling microscopy (STM in air and under electrochemical conditions (EC-STM, atomic force microscopy (AFM in air and scanning electrochemical potential microscopy (SECPM under electrochemical conditions, were used to study different single crystalline surfaces in electrochemistry. Especially SECPM offers potentially new insights into the solid-liquid interface by providing the possibility to image the potential distribution of the surface, with a resolution that is comparable to STM. In electrocatalysis, nanostructured catalysts supported on different electrode materials often show behavior different from their bulk electrodes. This was experimentally and theoretically shown for several combinations and recently on Pt on Au(111 towards fuel cell relevant reactions. For these investigations single crystals often provide accurate and well defined reference and support systems. We will show heteroepitaxially grown Ru, Ir and Rh single crystalline surface films and bulk Au single crystals with different orientations under electrochemical conditions. Image studies from all three different SPM methods will be presented and compared to electrochemical data obtained by cyclic voltammetry in acidic media. The quality of the single crystalline supports will be verified by the SPM images and the cyclic voltammograms. Furthermore, an outlook will be presented on how such supports can be used in electrocatalytic studies.

Road-Mapping the Way Forward for Sentinel-3 STM SAR-Mode Waveform Retracking over Water Surfaces

Science.gov (United States)

Benveniste, Jérôme; Cotton, David; Dinardo, Salvatore; Lucas, Bruno Manuel; Martin-Puig, Cristina; Ray, Chris; Clarizia, Maria Paola; Gommenginger, Christine

2013-04-01

In the framework of the preparation activities for the Sentinel-3 Topography Mission, ESA launched an R&D project on SAR Altimetry and Applications over Ocean, Coastal zones and Inland waters. The main objective was to design a novel processing algorithm over ocean surface that would run in the Sentinel-3 ground segment to provide unprecedented quality altimeter measurements over ocean surfaces when in SAR mode. Also coastal zones and inland waters were the targets of research to derive new models and re-trackers for these difficult measurements. Innovative physically based models have been developed for near-nadir ocean altimetric waveforms in SAR-Mode and subsequently implemented in prototype ocean SAR re-trackers to perform the validation. A Detailed Processing Model Document was delivered for implementation in the Sentinel-3 Topography Mission Ground Segment. In this paper, we present the approach used to date within SAMOSA and the heritage behind the latest SAMOSA2 model. The SAMOSA2 model offers a complete description of SAR altimeter echoes from ocean surfaces, expressed in the form of maps of reflected power in delay and Doppler space. SAMOSA2 is able to account for an elliptical antenna pattern, mispointing errors in roll and yaw, errors in range cell migration correction, surface scattering pattern, non-linear ocean wave statistics and spherical Earth surface effects. SAMOSA2 addresses some of the known limitations of the earlier SAMOSA1 model, in particular with regards to sensitivity to mispointing. Due to its truly comprehensive character, the full SAMOSA2 model is a complicated semi-analytical formulation that still relies on some numerical integrations. The need for numerical integrations significantly impacts the computation time and raises problems of numerical stability once implemented operationally in a re-tracker scheme. This has potentially serious implications that could prevent the implementation of SAMOSA2 in operational re-tracker schemes

Transistor effects and in situ STM of redox molecules at room temperature

DEFF Research Database (Denmark)

Albrecht, Tim; Guckian, A; Vos, JG

2005-01-01

. It predicts a distinct increase of the tunnelling current close to the equilibrium potential, i.e., if molecular bridge states are tuned into resonance with the Fermi levels of the enclosing electrodes. The complexes display robust electrochemistry on Au(111) electrode surfaces. STM images at molecular......Inorganic transition metal complexes were identified as potential candidates for transistor-like behavior in an electrochemical scanning tunnelling microscope (STM) configuration at room temperature. The theoretical background has been established based on condensed matter charge transfer theory...... resolution reveal detailed information on their surface structure and scanning tunnelling spectroscopy experiments have shown clear evidence of transistor-like behavior...

A method employing STM for the estimation of relative changes in ...

Indian Academy of Sciences (India)

– spectroscopy; scanning tunneling microscope; workfunction. Abstract. – spectroscopy measurements using a scanning tunnelling microscope (STM) were carried out to determine the change in the work function of a W ... Current Issue

Comparison of GaP and PH{sub 3} as dopant sources for STM-based device fabrication

Energy Technology Data Exchange (ETDEWEB)

Goh, Kuan Eng Johnson [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Oberbeck, L [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Butcher, M J [School of Physics, University of New South Wales, Sydney, New South Wales 2052 (Australia); Curson, N J [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Ruess, F J [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Simmons, M Y [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia)

2007-02-14

We present a comparative study of the use of a GaP solid source as an alternative to gaseous PH{sub 3} for controlled phosphorus {delta}-doping of lithographic patterns on H:Si(001) fabricated by scanning tunnelling microscopy (STM). Whilst our electrical studies show that P {delta}-doping of Si with the GaP solid source and gaseous PH{sub 3} result in essentially the same electrical characteristics, our STM studies reveal that P{sub 2} molecules from the GaP source exhibit a lower selectivity between bare Si(001) and H:Si(001) compared to PH{sub 3} molecules. We discuss the significance of our findings in the context of fabricating nanoscale P dopant devices in Si using STM-based lithography.

STM topographical images of C60

International Nuclear Information System (INIS)

Wang, Z.; Zhang, P.; Moskovits, M.

1991-01-01

In this paper STM topographical images of C 60 are reported. The images are consistent with a molecule approximately 9 Angstrom in diameter possessing the now-famous soccer ball structure. With the molecule deposited on gold, its atomic structure is not resolved. On graphite the structure of the within the borders of the C 60 molecule is dominated by that of the graphite forming a moire-like pattern. Some evidence of atomic structure is seen in multilayers of C 60 where some five- and six-membered rings are visible. These may, however, be features of fragments of the fullerene rather than whole molecules

Deducing 2D Crystal Structure at the Solid/Liquid Interface with Atomic Resolution by Combined STM and SFG Study

Science.gov (United States)

McClelland, Arthur; Ahn, Seokhoon; Matzger, Adam J.; Chen, Zhan

2009-03-01

Supplemented by computed models, Scanning Tunneling Microscopy (STM) can provide detailed structure of 2D crystals formed at the liquid/solid interface with atomic resolution. However, some structural information such as functional group orientations in such 2D crystals needs to be tested experimentally to ensure the accuracy of the deduced structures. Due to the limited sensitivity, many other experimental techniques such as Raman and infrared spectroscopy have not been allowed to provide such structural information of 2D crystals. Here we showed that Sum Frequency Generation Vibrational Spectroscopy (SFG) can measure average orientation of functional groups in such 2D crystals, or physisorbed monolayers, providing key experimental data to aid in the modeling and interpretation of the STM images. The usefulness of combining these two techniques is demonstrated with a phthalate diesters monolayer formed at the 1-phenyloctane/ highly oriented pyrolytic graphite (HOPG) interface. The spatial orientation of the ester C=O of the monolayer was successfully determined using SFG.

STM/STS measurements of the layered superconductor β-HfNCl1-x

International Nuclear Information System (INIS)

Ekino, Toshikazu; Sugimoto, Akira; Shohara, Kazuhiro; Yamanaka, Shoji; Gabovich, Alexander M.

2010-01-01

Scanning tunneling microcopy/spectroscopy (STM/STS) measurements have been carried out on SmSI (β) type HfNCl 1-x (x∼0.3) samples with T c =24K. The STM image on the cleaved surface of ab plane at 5 K clearly reveals a triangular arrangement of bright spots. The separation of the nearest-neighbor spots, 0.369 nm, is in agreement with the a lattice parameter. The STS measurements at 5 K reveal almost constant gap values 2Δ=20meV within the area of at least 10x10nm 2 , thus demonstrating a huge ratio 2Δ/k B T c =10. This ratio is very similar to that found in high-T c oxide and organic superconductors.

Geologic Framework Model (GFM2000)

International Nuclear Information System (INIS)

T. Vogt

2004-01-01

The purpose of this report is to document the geologic framework model, version GFM2000 with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, and the differences between GFM2000 and previous versions. The version number of this model reflects the year during which the model was constructed. This model supersedes the previous model version, documented in Geologic Framework Model (GFM 3.1) (CRWMS M and O 2000 [DIRS 138860]). The geologic framework model represents a three-dimensional interpretation of the geology surrounding the location of the monitored geologic repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain. The geologic framework model encompasses and is limited to an area of 65 square miles (168 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the geologic framework model (shown in Figure 1-1) were chosen to encompass the exploratory boreholes and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The upper surface of the model is made up of the surface topography and the depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The geologic framework model was constructed from geologic map and borehole data. Additional information from measured stratigraphic sections, gravity profiles, and seismic profiles was also considered. The intended use of the geologic framework model is to provide a geologic framework over the area of interest consistent with the level of detailed needed for hydrologic flow and radionuclide transport modeling through the UZ and for repository design. The model is limited by the availability of data and relative amount of geologic complexity found in an area. The geologic framework model is inherently limited by scale and content. The grid spacing used in

Geologic Framework Model (GFM2000)

Energy Technology Data Exchange (ETDEWEB)

T. Vogt

2004-08-26

The purpose of this report is to document the geologic framework model, version GFM2000 with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, and the differences between GFM2000 and previous versions. The version number of this model reflects the year during which the model was constructed. This model supersedes the previous model version, documented in Geologic Framework Model (GFM 3.1) (CRWMS M&O 2000 [DIRS 138860]). The geologic framework model represents a three-dimensional interpretation of the geology surrounding the location of the monitored geologic repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain. The geologic framework model encompasses and is limited to an area of 65 square miles (168 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the geologic framework model (shown in Figure 1-1) were chosen to encompass the exploratory boreholes and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The upper surface of the model is made up of the surface topography and the depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The geologic framework model was constructed from geologic map and borehole data. Additional information from measured stratigraphic sections, gravity profiles, and seismic profiles was also considered. The intended use of the geologic framework model is to provide a geologic framework over the area of interest consistent with the level of detailed needed for hydrologic flow and radionuclide transport modeling through the UZ and for repository design. The model is limited by the availability of data and relative amount of geologic complexity found in an area. The geologic framework model is inherently limited by scale and content. The grid spacing used in the

Nanoscopic Studies on Polymer Molecules(STM-other surfaces)

OpenAIRE

Toshio, NISHI; Ken, NAKAJIMA; Takayuki, IKEHARA; Department of Applied Physics, School of Engineering, The University of Tokyo; Department of Applied Physics, School of Engineering, The University of Tokyo; Department of Applied Physics, School of Engineering, The University of Tokyo

1997-01-01

A new field of study in the polymer science and engineering is being opened with the use of scanning tunneling microscope (STM), atomic force microscope (AFM), and scanning probe microscope (SPM). In this short review article several examples are given with comments. They are direct observation of poly(macromonomer), structure of a cross-linking domain of a gel, and observation of topochemically photopolymerizable conjugated aromatic compound. Moreover, nanorheological properties of polymer b...

Application of Machine Learning tools to recognition of molecular patterns in STM images

Science.gov (United States)

Maksov, Artem; Ziatdinov, Maxim; Fujii, Shintaro; Kiguchi, Manabu; Higashibayashi, Shuhei; Sakurai, Hidehiro; Kalinin, Sergei; Sumpter, Bobby

The ability to utilize individual molecules and molecular assemblies as data storage elements has motivated scientist for years, concurrent with the continuous effort to shrink a size of data storage devices in microelectronics industry. One of the critical issues in this effort lies in being able to identify individual molecular assembly units (patterns), on a large scale in an automated fashion of complete information extraction. Here we present a novel method of applying machine learning techniques for extraction of positional and rotational information from scanning tunneling microscopy (STM) images of π-bowl sumanene molecules on gold. We use Markov Random Field (MRF) model to decode the polar rotational states for each molecule in a large scale STM image of molecular film. We further develop an algorithm that uses a convolutional Neural Network combined with MRF and input from density functional theory to classify molecules into different azimuthal rotational classes. Our results demonstrate that a molecular film is partitioned into distinctive azimuthal rotational domains consisting typically of 20-30 molecules. In each domain, the ``bowl-down'' molecules are generally surrounded by six nearest neighbor molecules in ``bowl-up'' configuration, and the resultant overall structure form a periodic lattice of rotational and polar states within each domain. Research was supported by the US Department of Energy.

Structural characterization and comparison of iridium, platinum and gold/palladium ultra-thin film coatings for STM of biomolecules

Energy Technology Data Exchange (ETDEWEB)

Sebring, R.; Arendt, P.; Imai, B.; Bradbury, E.M.; Gatewood, J. [Los Alamos National Lab., NM (United States); Panitz, J. [Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Physics and Astronomy; Yau, P. [Univ. of California, Davis, CA (United States)

1997-10-30

Scanning tunneling microscopy (STM) is capable of atomic resolution and is ideally suited for imaging surfaces with uniform work function. A biological sample on a conducting substrate in air does not meet this criteria and requires a conductive coating for stable and reproducible STM imaging. In this paper, the authors describe the STM and transmission electron microscopy (TEM) characterization of ultra-thin ion-beam sputtered films of iridium and cathode sputtered gold/palladium and platinum films on highly ordered pyrolytic graphite (HOPG) which were developed for use as biomolecule coatings. The goals were the development of metal coatings sufficiently thin and fine grained that 15--20 {angstrom} features of biological molecules could be resolved using STM, and the development of a substrate/coating system which would allow complementary TEM information to be obtained for films and biological molecules. The authors demonstrate in this paper that ion-beam sputtered iridium on highly ordered pyrolytic graphite (HOPG) has met both these goals. The ion-beam sputtered iridium produced a very fine grained (< 10 {angstrom}) continuous film at 5--6 {angstrom} thickness suitable for stable air STM imaging. In comparison, cathode sputtered platinum produced 16 {angstrom} grains with the thinnest continuous film at 15 {angstrom} thickness, and the sputtered gold/palladium produced 25 {angstrom} grains with the thinnest continuous film at 18 {angstrom} thickness.

A method employing STM for the estimation of relative changes in ...

Indian Academy of Sciences (India)

Unknown

determine the change in the work function of a W tip following one monolayer (1 ML) deposition of Ni and subsequent annealing at 700 K. The variation in the actual gap voltage obtained ... Studies using STM mostly concentrate on work func-.

In situ STM imaging of the structures of pentacene molecules adsorbed on Au(111).

Science.gov (United States)

Pong, Ifan; Yau, Shuehlin; Huang, Peng-Yi; Chen, Ming-Chou; Hu, Tarng-Shiang; Yang, Yawchia; Lee, Yuh-Lang

2009-09-01

In situ scanning tunneling microscope (STM) was used to examine the spatial structures of pentacene molecules adsorbed onto a Au(111) single-crystal electrode from a benzene dosing solution containing 16-400 microM pentacene. Molecular-resolution STM imaging conducted in 0.1 M HClO(4) revealed highly ordered pentacene structures of ( radical31 x radical31)R8.9 degrees , (3 x 10), ( radical31 x 10), and ( radical7 x 2 radical7)R19.1 degrees adsorbed on the reconstructed Au(111) electrode dosed with different pentacene solutions. These pentacene structures and the reconstructed Au(111) substrate were stable between 0.2 and 0.8 V [vs reversible hydrogen electrode, RHE]. Increasing the potential to E > 0.8 V lifted the reconstructed Au(111) surface and disrupted the ordered pentacene adlattices simultaneously. Ordered pentacene structures could be restored by applying potentials negative enough to reinforce the reconstructed Au(111). At potentials negative of 0.2 V, the adsorption of protons became increasingly important to displace adsorbed pentacene admolecules. Although the reconstructed Au(111) structure was not essential to produce ordered pentacene adlayers, it seemed to help the adsorption of pentacene molecules in a long-range ordered pattern. At room temperature (25 degrees C), approximately 100 pentacene molecules seen in STM images could rotate and align themselves to a neighboring domain in 10 s, suggesting that pentacene admolecules could be mobile on Au(111) under the STM imaging conditions of -150 mV in bias voltage and 1 nA in feedback current.

STM-SQUID probe microscope

International Nuclear Information System (INIS)

Hayashi, Tadayuki; Tachiki, Minoru; Itozaki, Hideo

2007-01-01

We have developed a STM-SQUID probe microscope. A high T C SQUID probe microscope was combined with a scanning tunneling microscope for investigation of samples at room temperature in air. A high permeability probe needle was used as a magnetic flux guide to improve the spatial resolution. The probe with tip radius of less than 100 nm was prepared by microelectropolishing. The probe was also used as a scanning tunneling microscope tip. Topography of the sample surface could be measured by the scanning tunneling microscope with high spatial resolution prior to observation by SQUID microscopy. The SQUID probe microscope image could be observed while keeping the distance from the sample surface to the probe tip constant. We observed a topographic image and a magnetic image of Ni fine pattern and also a magnetically recorded hard disk. Furthermore we have investigated a sample vibration method of the static magnetic field emanating from a sample with the aim of achieving a higher signal-to-noise (S/N) ratio

Photoluminescence characteristics of InAs quantum dots grown by STM/MBE site-control technique

Energy Technology Data Exchange (ETDEWEB)

Nishikawa, S.; Kohmoto, S.; Nakamura, H.; Ishikawa, T.; Asakawa, K.; Wada, O. [Femtosecond Technology Research Association, Tsukuba, Ibaraki (Japan). FESTA Lab.

2001-03-08

This paper describes micro-photoluminescence (PL) analysis of site-controlled QDs (SCQDs) grown using a novel in-situ MBE growth technique in which sites of self-assembled InAs QDs are controlled by forming nanometer deposits using a scanning tunneling microscope (STM) probe. We found from the temperature dependence of PL that the carrier collection at QDs at low temperature is limited by carrier diffusion in the wetting layer. The analysis of PL data considering this effect has indicated that individual QDs grown have high crystalline quality in spite of the addition of an artificial STM process during growth. (orig.)

Mechanism of high-resolution STM/AFM imaging with functionalized tips

Czech Academy of Sciences Publication Activity Database

Hapala, Prokop; Kichin, G.; Wagner, C.; Tautz, F.S.; Temirov, R.; Jelínek, Pavel

2014-01-01

Roč. 90, č. 8 (2014), "085421-1"-"085421-9" ISSN 1098-0121 R&D Projects: GA ČR(CZ) GC14-16963J Grant - others:AVČR(CZ) M100101207 Institutional support: RVO:68378271 Keywords : AFM * STM * high resolution Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

Simulation of STM technique for electron transport through boron-nitride nanotubes

International Nuclear Information System (INIS)

Ganji, M.D.; Mohammadi-nejad, A.

2008-01-01

We report first-principles calculations on the electrical transport properties of boron-nitrid nanotubes (BNNTs). We consider a single walled (5,0) boron-nitrid nanotube sandwiched between an Au(1 0 0) substrate and a monatomic Au scanning tunneling microscope (STM) tip. Lateral motion of the tip over the nanotube wall cause it to change from one conformation class to the others and to switch between a strongly and a weakly conducting state. Thus, surprisingly, despite their apparent simplicity these Au/BNNT/Au nanowires are shown to be a convenient switch. Experiments with a conventional STM are proposed to test these predictions. The projection of the density of states (PDOS) and the transmission coefficients T(E) of the two-probe systems at zero bias are analyzed, and it suggests that the variation of the coupling between the wire and the electrodes leads to switching behaviour

A compact combined ultrahigh vacuum scanning tunnelling microscope (UHV STM) and near-field optical microscope

International Nuclear Information System (INIS)

Woolley, R A J; Hayton, J A; Cavill, S; Ma, Jin; Beton, P H; Moriarty, P

2008-01-01

We have designed and constructed a hybrid scanning near-field optical microscope (SNOM)–scanning tunnelling microscope (STM) instrument which operates under ultrahigh vacuum (UHV) conditions. Indium tin oxide (ITO)-coated fibre-optic tips capable of high quality STM imaging and tunnelling spectroscopy are fabricated using a simple and reliable method which foregoes the electroless plating strategy previously employed by other groups. The fabrication process is reproducible, producing robust tips which may be exchanged under UHV conditions. We show that controlled contact with metal surfaces considerably enhances the STM imaging capabilities of fibre-optic tips. Light collection (from the cleaved back face of the ITO-coated fibre-optic tip) and optical alignment are facilitated by a simple two-lens arrangement where the in-vacuum collimation/collection lens may be adjusted using a slip-stick motor. A second in-air lens focuses the light (which emerges from the UHV system as a parallel beam) onto a cooled CCD spectrograph or photomultiplier tube. The application of the instrument to combined optical and electronic spectroscopy of Au and GaAs surfaces is discussed

A previously uncharacterized gene stm0551 plays a repressive role in the regulation of type 1 fimbriae in Salmonella enterica serotype Typhimurium

Directory of Open Access Journals (Sweden)

Wang Ke-Chuan

2012-06-01

Full Text Available Abstract Background Salmonella enterica serotype Typhimurium produces surface-associated fimbriae that facilitate adherence of the bacteria to a variety of cells and tissues. Type 1 fimbriae with binding specificity to mannose residues are the most commonly found fimbrial type. In vitro, static-broth culture favors the growth of S. Typhimurium with type 1 fimbriae, whereas non-type 1 fimbriate bacteria are obtained by culture on solid-agar media. Previous studies demonstrated that the phenotypic expression of type 1 fimbriae is the result of the interaction and cooperation of the regulatory genes fimZ, fimY, fimW, and fimU within the fim gene cluster. Genome sequencing revealed a novel gene, stm0551, located between fimY and fimW that encodes an 11.4-kDa putative phosphodiesterase specific for the bacterial second messenger cyclic-diguanylate monophosphate (c-di-GMP. The role of stm0551 in the regulation of type 1 fimbriae in S. Typhimurium remains unclear. Results A stm0551-deleted stain constructed by allelic exchange constitutively produced type 1 fimbriae in both static-broth and solid-agar medium conditions. Quantative RT-PCR revealed that expression of the fimbrial major subunit gene, fimA, and one of the regulatory genes, fimZ, were comparably increased in the stm0551-deleted strain compared with those of the parental strain when grown on the solid-agar medium, a condition that normally inhibits expression of type 1 fimbriae. Following transformation with a plasmid possessing the coding sequence of stm0551, expression of fimA and fimZ decreased in the stm0551 mutant strain in both culture conditions, whereas transformation with the control vector pACYC184 relieved this repression. A purified STM0551 protein exhibited a phosphodiesterase activity in vitro while a point mutation in the putative EAL domain, substituting glutamic acid (E with alanine (A, of STM0551 or a FimY protein abolished this activity. Conclusions The finding that the

Pd adsorption on Si(1 1 3) surface: STM and XPS study

International Nuclear Information System (INIS)

Hara, Shinsuke; Yoshimura, Masamichi; Ueda, Kazuyuki

2008-01-01

Pd-induced surface structures on Si(1 1 3) have been studied by scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS). In the initial process of the Pd adsorption below 0.10 ML, Pd silicide (Pd 2 Si) clusters are observed to form randomly on the surface. By increasing the Pd coverage to 0.10 ML, the clusters cover the entire surface, and an amorphous layer is formed. After annealing the Si(1 1 3)-Pd surface at 600 deg. C, various types of islands and chain protrusions appears. The agglomeration, coalescence and crystallization of these islands are observed by using high temperature (HT-) STM. It is also found by XPS that the islands correspond to Pd 2 Si structure. On the basis of these results, evolution of Pd-induced structures at high temperatures is in detail discussed

GeoFramework: A Modeling Framework for Solid Earth Geophysics

Science.gov (United States)

Gurnis, M.; Aivazis, M.; Tromp, J.; Tan, E.; Thoutireddy, P.; Liu, Q.; Choi, E.; Dicaprio, C.; Chen, M.; Simons, M.; Quenette, S.; Appelbe, B.; Aagaard, B.; Williams, C.; Lavier, L.; Moresi, L.; Law, H.

2003-12-01

As data sets in geophysics become larger and of greater relevance to other earth science disciplines, and as earth science becomes more interdisciplinary in general, modeling tools are being driven in new directions. There is now a greater need to link modeling codes to one another, link modeling codes to multiple datasets, and to make modeling software available to non modeling specialists. Coupled with rapid progress in computer hardware (including the computational speed afforded by massively parallel computers), progress in numerical algorithms, and the introduction of software frameworks, these lofty goals of merging software in geophysics are now possible. The GeoFramework project, a collaboration between computer scientists and geoscientists, is a response to these needs and opportunities. GeoFramework is based on and extends Pyre, a Python-based modeling framework, recently developed to link solid (Lagrangian) and fluid (Eulerian) models, as well as mesh generators, visualization packages, and databases, with one another for engineering applications. The utility and generality of Pyre as a general purpose framework in science is now being recognized. Besides its use in engineering and geophysics, it is also being used in particle physics and astronomy. Geology and geophysics impose their own unique requirements on software frameworks which are not generally available in existing frameworks and so there is a need for research in this area. One of the special requirements is the way Lagrangian and Eulerian codes will need to be linked in time and space within a plate tectonics context. GeoFramework has grown beyond its initial goal of linking a limited number of exiting codes together. The following codes are now being reengineered within the context of Pyre: Tecton, 3-D FE Visco-elastic code for lithospheric relaxation; CitComS, a code for spherical mantle convection; SpecFEM3D, a SEM code for global and regional seismic waves; eqsim, a FE code for dynamic

S182 and STM2 gene missense mutations in sporadic alzheimer disease

Energy Technology Data Exchange (ETDEWEB)

Higuchi, Susumu; Matsushita, Sachio; Hasegawa, Yoshio; Muramatsu, Taro [Kurihama National Hospital, Yokosuka (Japan)] [and others

1996-07-26

The linkage of genes S182 and STM2 to early-onset or late-onset sporadic Alzheimer disease (AD) was not found in a group of 97 clinically-diagnosed AD patients and 46 autopsy-confirmed AD cases, using PCR-RFLP methods. 7 refs.

Design and performance of an in situ high vacuum STM in beam line at 15 UD pelletron accelerator

International Nuclear Information System (INIS)

Singh, J.P.; Tripathi, A.; Ahuja, R.; Dutt, R.N.; Kanjilal, D.; Mehta, G.K.; Raychoudhuri, A.K.

2000-01-01

The design, installation and performance of an in situ high vacuum STM in the materials science beam line of 15 UD tandem Pelletron accelerator, NSC are reported. The scanning tunneling microscope (STM) has imaged highly oriented pyrolytic graphite (HOPG) surfaces with atomic resolution. Local current-voltage spectroscopy has also been performed on p-type Si (111) samples. A band gap of 1.09 ± 0.1 eV was calculated. (author)

The combinatorial effect of different Equex STM paste concentrations, cryoprotectants and the straw-freezing methods on the post-thaw boar semen quality.

Science.gov (United States)

Wu, T-W; Cheng, F-P; Chen, I-H; Yang, C-H; Tsai, M-Y; Chang, M-H; Wang, J-H; Wu, J-T

2013-02-01

This study was to evaluate the combinatorial effect (14 treatments, A-N) of different Equex STM paste concentrations, cryoprotectants and the straw-freezing method on the post-thaw boar semen quality. Two ejaculates were collected from each of nine boars (three boars from each of three breeds). Semen was diluted in extenders with different concentrations of Equex STM paste and different cryoprotectants [glycerol or dimethylacetamide (DMA)] before cryopreserving via liquid nitrogen or dry ice. Motility, viability, percentage of spermatozoa with intense acrosomal staining and with normal morphology of post-thaw sperm were evaluated. The qualities of thawed semen were best preserved in treatment H (extender with 0.5% Equex STM paste and 5% glycerol and freezing by dry ice) and were worst in treatment B (extender with 0% Equex STM paste and 5% DMA and freezing by dry ice). Significant difference (p 0.05). Moreover, statistical analysis suggests that no significant difference was present in semen quality among breed or individual donors (p > 0.05). These findings suggest that Equex STM paste improved the cryosurvival efficiency of boar sperm, and the favourable straw-freezing method changes between glycerol and DMA. © 2012 Blackwell Verlag GmbH.

Oxygen adsorption on the Al9Co2(001) surface: first-principles and STM study

International Nuclear Information System (INIS)

Villaseca, S Alarcón; Loli, L N Serkovic; Ledieu, J; Fournée, V; Dubois, J-M; Gaudry, É; Gille, P

2013-01-01

Atomic oxygen adsorption on a pure aluminum terminated Al 9 Co 2 (001) surface is studied by first-principle calculations coupled with STM measurements. Relative adsorption energies of oxygen atoms have been calculated on different surface sites along with the associated STM images. The local electronic structure of the most favourable adsorption site is described. The preferential adsorption site is identified as a ‘bridge’ type site between the cluster entities exposed at the (001) surface termination. The Al–O bonding between the adsorbate and the substrate presents a covalent character, with s–p hybridization occurring between the states of the adsorbed oxygen atom and the aluminum atoms of the surface. The simulated STM image of the preferential adsorption site is in agreement with experimental observations. This work shows that oxygen adsorption generates important atomic relaxations of the topmost surface layer and that sub-surface cobalt atoms strongly influence the values of the adsorption energies. The calculated Al–O distances are in agreement with those reported in Al 2 O and Al 2 O 3 oxides and for oxygen adsorption on Al(111). (paper)

Growth and structure of Si and Ge in vanadium oxide nanomesh on Pd(1 1 1) studied by STM and DFT

International Nuclear Information System (INIS)

Chan, Lap Hong; Hayazaki, Shinji; Ogawa, Kokushi; Yuhara, Junji

2013-01-01

Highlights: ► We studied the growth and structure of Si and Ge in vanadium oxide nanomesh on Pd(1 1 1) by STM and DFT calculations. ► All the Si atoms formed isolated Si nanoclusters. ► Some Ge atoms formed monomer Ge nanodots on Pd(1 1 1), while the others formed isolated Ge nanoclusters. - Abstract: The growth of silicon (Si)/germanium (Ge) atoms in a well ordered (4 × 4) vanadium (V) oxide nanomesh on Pd(1 1 1) prepared by ultra-high-vacuum evaporation has been studied by scanning tunneling microscopy (STM) and ab initio density functional theory (DFT) calculations. At the very beginning of the Si deposition, all of the Si atoms deposited were adsorbed on top of the V-oxide nanomesh, forming Si nanoclusters, and each Si atom formed was isolated other Si atoms. Two different adsorption sites for Si atoms were observed by STM. In the case of Ge deposition, some Ge atoms filled the vanadium oxide nanoholes, forming Ge nanodots on Pd(1 1 1), while the others were adsorbed on top of the V-oxide nanomesh, forming isolated Ge nanoclusters. The ab initio DFT total-energy calculations indicated that the Ge atoms occupying the nanohole were more stable than those adsorbed on the nanomesh. The simulated images were highly consistent with the experimental STM images with the exception of the Ge nanodots, which exhibited a large, uniform protrusion in the STM images. Therefore, the adsorbed atom might be mobile in the nanohole at room temperature, possibly as a result of interaction with the STM tip.

Dependence of electric field on STM tip preparation

DEFF Research Database (Denmark)

Huang, D.H.; Grey, Francois; Aono, M.

1998-01-01

Voltage pulses applied between an STM tip and a surface can modify the surface on the nanometer scale due to electric-field-induced evaporation. However, at present, different groups have achieved surface modification with quite different bias conditions, and it is still difficult to obtain high...... reproducibility in such experiments. In this paper, we measure the tip displacement during a pulse at constant tunnelling current, and deduce that the electric field produced by the pulse depends in a systematic way on tip preparation, The results show how differences in tip preparation can be a major source...

STM imaging of buried P atoms in hydrogen-terminated Si for the fabrication of a Si:P quantum computer

Energy Technology Data Exchange (ETDEWEB)

Oberbeck, L.; Curson, N.J.; Hallam, T.; Simmons, M.Y.; Clark, R.G

2004-10-01

The fabrication of atomic-scale devices in silicon requires the encapsulation of dopant atoms which have been incorporated into the silicon surface at atomically precise positions using scanning tunnelling microscopy (STM) lithography. During silicon encapsulation, it is important to minimise segregation and diffusion of dopant atoms in order to retain the lithography defined device structure. Buried dopant imaging using STM is capable of imaging dopant atoms such as phosphorus after encapsulation in silicon several monolayers below the silicon surface, thus making it possible to check the integrity of the device structure. To fabricate buried phosphorus-doped samples, we use phosphine gas as a source of phosphorus atoms and incorporate the phosphorus atoms into a Si(001) surface during an annealing step. Molecular beam epitaxy is used to encapsulate the dopant atoms with several monolayers of silicon. After encapsulation, we hydrogen terminate the silicon surface in order to image the buried phosphorus dopants using STM. We show that a buried phosphorus atom appears as a bright glow superimposed on the silicon dimer structure in empty state STM images, whereas filled state images only show a very faint protrusion in the vicinity of the phosphorus atom. We highlight the importance of our results for the fabrication of atomic-scale devices.

STM imaging of buried P atoms in hydrogen-terminated Si for the fabrication of a Si:P quantum computer

International Nuclear Information System (INIS)

Oberbeck, L.; Curson, N.J.; Hallam, T.; Simmons, M.Y.; Clark, R.G.

2004-01-01

The fabrication of atomic-scale devices in silicon requires the encapsulation of dopant atoms which have been incorporated into the silicon surface at atomically precise positions using scanning tunnelling microscopy (STM) lithography. During silicon encapsulation, it is important to minimise segregation and diffusion of dopant atoms in order to retain the lithography defined device structure. Buried dopant imaging using STM is capable of imaging dopant atoms such as phosphorus after encapsulation in silicon several monolayers below the silicon surface, thus making it possible to check the integrity of the device structure. To fabricate buried phosphorus-doped samples, we use phosphine gas as a source of phosphorus atoms and incorporate the phosphorus atoms into a Si(001) surface during an annealing step. Molecular beam epitaxy is used to encapsulate the dopant atoms with several monolayers of silicon. After encapsulation, we hydrogen terminate the silicon surface in order to image the buried phosphorus dopants using STM. We show that a buried phosphorus atom appears as a bright glow superimposed on the silicon dimer structure in empty state STM images, whereas filled state images only show a very faint protrusion in the vicinity of the phosphorus atom. We highlight the importance of our results for the fabrication of atomic-scale devices

Measurement of chirality of charge-density-waves in TiSe2 by using STM

International Nuclear Information System (INIS)

Ishioka, J.; Liu, Y.H.; Shimatake, K.; Kurosawa, T.; Ichimura, K.; Toda, Y.; Oda, M.; Tanda, S.

2010-01-01

We report the chirality of charge density waves (CDW) in 1T-TiSe 2 by using scanning tunneling microscopy (STM) measurements. We found that the CDW intensity becomes Ia 1 :Ia 2 :Ia 3 =1:0.7±0.1:0.5±0.1, where Ia i (i=1, 2, 3) is the amplitude of the tunneling current contributed by the CDWs. We found two states, in which the three intensity peaks of the CDW decrease clockwise and anticlockwise when we index each nesting vector in order of intensity in the Fourier transformation of the STM images. We found that this difference arises from CDW stacking along the c-axis at intervals of 2c 0 /3. This chirality is attributed to the helical stacking such as cholesteric liquid crystals.

Fabrication of tuning-fork based AFM and STM tungsten probe

KAUST Repository

Al-Falih, Hisham

2011-12-01

We compare the sharpness of tungsten probe tips produced by the single-step and two-step dynamic electrochemical etching processes. A small radius of curvature (RoC) of 25 nm or less was routinely obtained when the two-step electrochemical etching (TEE) process was adopted, while the smallest achievable RoC was ∼10 nm, rendering it suitable for atomic force microscopy (AFM) or scanning tunneling microscopy (STM) applications. © 2011 IEEE.

Dissociative and molecular oxygen chemisorption channels on reduced rutile TiO2(110): A high-resolution STM study

DEFF Research Database (Denmark)

Lira, Estephania; Hansen, Jonas Ørbæk; Huo, Peipei

2010-01-01

High-resolution scanning tunneling microscopy (STM) and temperature-programmed desorption (TPD) were used to study the interaction of O2 with reduced TiO2(110)–(1 × 1) crystals. STM is the technique of choice to unravel the relation between vacancy and non-vacancy assisted O2 dissociation channel...... in the near-surface region of reduced TiO2(110) crystals, the kinetics of the two O2 dissociation channels as well as the kinetics of the diffusion and reaction of Ti interstitials....

STM-Induced Hydrogen Desorption via a Hole Resonance

DEFF Research Database (Denmark)

Stokbro, Kurt; Thirstrup, C.; Sakurai, M.

1998-01-01

We report STM-induced desorption of H from Si(100)-H(2 X 1) at negative sample bias. The desorption rate exhibits a power-law dependence on current and a maximum desorption rate at -7 V. The desorption is explained by vibrational heating of H due to inelastic scattering of tunneling holes...... with the Si-H 5 sigma hole resonance. The dependence of desorption rate on current and bias is analyzed using a novel approach for calculating inelastic scattering, which includes the effect of the electric field between tip and sample. We show that the maximum desorption rate at -7 V is due to a maximum...

Computer-Aided Modeling Framework

DEFF Research Database (Denmark)

Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

Models are playing important roles in design and analysis of chemicals based products and the processes that manufacture them. Computer-aided methods and tools have the potential to reduce the number of experiments, which can be expensive and time consuming, and there is a benefit of working...... development and application. The proposed work is a part of the project for development of methods and tools that will allow systematic generation, analysis and solution of models for various objectives. It will use the computer-aided modeling framework that is based on a modeling methodology, which combines....... In this contribution, the concept of template-based modeling is presented and application is highlighted for the specific case of catalytic membrane fixed bed models. The modeling template is integrated in a generic computer-aided modeling framework. Furthermore, modeling templates enable the idea of model reuse...

Building crop models within different crop modelling frameworks

NARCIS (Netherlands)

Adam, M.Y.O.; Corbeels, M.; Leffelaar, P.A.; Keulen, van H.; Wery, J.; Ewert, F.

2012-01-01

Modular frameworks for crop modelling have evolved through simultaneous progress in crop science and software development but differences among these frameworks exist which are not well understood, resulting in potential misuse for crop modelling. In this paper we review differences and similarities

The Impact of Pointing on the Short-Term Memory (STM) of Heterophonic Homographs

Science.gov (United States)

Vaknin-Nusbaum, Vered; Miller, Paul

2014-01-01

This study entailed two short-term memory (STM) experiments investigating the importance of vowel diacritics for the temporary retention of three distinct Hebrew word list types: heterophonic homographs, non-homographs and homophonic homographs. Eighty university students participated in each experiment, with half of them tested with word lists…

Whey protein isolate improves acid and bile tolerances of Streptococcus thermophilus ST-M5 and Lactobacillus delbrueckii ssp. bulgaricus LB-12.

Science.gov (United States)

Vargas, Luis A; Olson, Douglas W; Aryana, Kayanush J

2015-04-01

Acid tolerance and bile tolerance are important probiotic characteristics. Whey proteins contain branched-chain amino acids, which play a role in muscle building and are popular among athletes. Increasing emphasis is being placed on diets containing less carbohydrate, less fat, and more protein. The effect of incremental additions of whey protein isolate (WPI) on probiotic characteristics of pure cultures is not known. The objective of this study was to determine the influence of added WPI on acid tolerance and bile tolerance of pure cultures of Streptococcus thermophilus ST-M5 and Lactobacillus bulgaricus LB-12. The WPI was used at 0 (control), 1, 2 and 3% (wt/vol). Assessment of acid tolerance was conducted on pure cultures at 30-min intervals for 2h of acid exposure and bile tolerance at 1-h intervals for 5h of bile exposure. Use of 1, 2, and 3% WPI improved acid tolerance of Strep. thermophilus ST-M5 and Lb. bulgaricus LB-12. The highest counts for acid tolerance of Strep. thermophilus ST-M5 and Lb. bulgaricus LB-12 were obtained when 3% WPI was used. Use of 2 and 3% WPI improved bile tolerance of Strep. thermophilus ST-M5 and Lb. bulgaricus LB-12 over 5h of bile exposure. The use of WPI is recommended to improve acid and bile tolerance of the yogurt culture bacteria Strep. thermophilus ST-M5 and Lb. bulgaricus LB-12. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Influence of the State of the Tungsten Tip on STM Topographic Images of SnSe Surfaces

Science.gov (United States)

Ly, Trinh Thi; Kim, Jungdae

2018-03-01

Tin selenide (SnSe) has recently attracted significant attention because of its excellent thermoelectric properties with a figure of merit (ZT) of 2.6. Previous scanning tunneling microscopy (STM) studies of SnSe surfaces showed that only Sn atoms are resolved in topographic images due to the dominant contribution of the Sn 5 p z states in tunneling. However, when the state of the tungsten (W) tip changes from a typical four-lobe d state such as d xy or {d_{{x^2} - {y^2}}} to a two-lobe {d_{{z^2}}} state, the atomic features observed on the SnSe surface in STM topography can be dramatically altered. In this report, we present the results of a systematic study on the influence of the W tip's states on the STM images of SnSe surfaces. Sn atoms are observed with much stronger corrugation amplitude and smaller apparent radius when the tip is in a {d_{{z^2}}} state. In addition, the atomic features of the Se atoms become visible because of the sharply focused shape of the W {d_{{z^2}}} state. We expect our results to provide important information for establishing a better understanding of the microscopic nature of SnSe surfaces.

STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis

Science.gov (United States)

Gustafsson, Alexander; Paulsson, Magnus

2017-12-01

We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.

STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis.

Science.gov (United States)

Gustafsson, Alexander; Paulsson, Magnus

2017-12-20

We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.

Ethylene dissociation on flat and stepped Ni(111): A combined STM and DFT study

DEFF Research Database (Denmark)

Vang, R.T.; Honkala, Johanna Karoliina; Dahl, S.

2006-01-01

The dissociative adsorption of ethylene (C(2)H(4)) on Ni(111) was studied by scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM studies reveal that ethylene decomposes exclusively at the step edges at room temperature. However, the step edge sites...... are poisoned by the reaction products and thus only a small brim of decomposed ethylene is formed. At 500 K decomposition on the (111) facets leads to a continuous growth of carbidic islands, which nucleate along the step edges. DFT calculations were performed for several intermediate steps...... in the decomposition of ethylene on both Ni(111) and the stepped Ni(211) surface. In general the Ni(211) surface is found to have a higher reactivity than the Ni(111) surface. Furthermore, the calculations show that the influence of step edge atoms is very different for the different reaction pathways. In particular...

Bi surfactant mediated growth for fabrication of Si/Ge nanostructures and investigation of Si/Ge intermixing by STM

Energy Technology Data Exchange (ETDEWEB)

Paul, N.

2007-10-26

In the thesis work presented here, we show that Bi is more promising surfactant material than Sb. We demonstrate that by using Bi as a terminating layer on Ge/Si surface, it is possible to distinguish between Si and Ge in Scanning tunnelling microscope (STM). Any attempt to utilize surfactant mediated growth must be preceded by a thorough study of its effect on the the system being investigated. Thus, the third chapter of this thesis deals with an extensive study of the Bi surfactant mediated growth of Ge on Si(111) surface as a function of Ge coverage. The growth is investigated from the single bilayer Ge coverage till the Ge coverage of about 15 BL when the further Ge deposition leads to two-dimensional growth. In the fourth chapter, the unique property of Bi terminating layer on Ge/Si surface to result in an STM height contrast between Si and Ge is explained with possible explanations given for the reason of this apparent height contrast. The controlled fabrication of Ge/Si nanostructures such as nanowires and nanorings is demonstrated. A study on Ge-Si diffusion in the surface layers by a direct method such as STM was impossible previously because of the similar electronic structure of Ge and Si. Since with the Bi terminating surface layer, one is able to distinguish between Ge and Si, the study of intermixing between them is also possible using STM. This method to distinguish between Si and Ge allows one to study intermixing on the nanoscale and to identify the fundamental diffusion processes giving rise to the intermixing. In Chapter 5 we discuss how this could prove useful especially as one could get a local probe over a very narrow Ge-Si interface. A new model is proposed to estimate change in the Ge concentration in the surface layer with time. The values of the activation energies of Ge/Si exchange and Si/Ge exchange are estimated by fitting the experimental data with the model. The Ge/Si intermixing has been studied on a surface having 1 ML Bi ({radical

Investigation of lateral forces in dynamic mode using combined AFM/STM

OpenAIRE

Atabak, Mehrdad

2007-01-01

Ankara : The Department of Physics and The Institute of Engineering and Science of Bilkent University, 2007. Thesis (Ph.D.) -- Bilkent University, 2007. Includes bibliographical references leaves 114-126. In this Ph.D. work, we constructed a ¯ber optic interferometer based non-contact Atomic Force Microscope (nc-AFM) combined with Scanning Tunneling Micro- scope(STM) to study lateral force interactions on Si(111)-(77) surface. The in- terferometer has been built in such a wa...

Fabrication of Silicon nanostructures by UHV-STM lithography in Self-Assembled Monolayers

International Nuclear Information System (INIS)

Sundermann, M.; Brechling, A.; Rott, K.; Meyners, D.; Kleineberg, U.; Heinzmann, U.; Knueller, A.; Eck, W.; Goelzhueuser, A.; Grunze, M.

2002-01-01

Our approach utilizes UHV-STM writing in Self-Assembled Monolayers (SAM). SAMs form highly-ordered ultrathin (∼2-3 nm) monomolecular layers on top of pre-activated Si(100) or Si(111) surfaces. After patterning by UHV-STM writing in constant-current mode at different write parameters (gap voltage, electron dose) the modified Self-Assembled Monolayer serves as an etch mask for an anisotropic wet etch transfer (two-step etch process in aqueous solutions of 5 % HF and 1 M KOH), of the write structure into the silicon substrate. The corresponding silicon nano-structures have been analyzed afterwards by AFM or SEM to characterize the pattern accuracy. We have studied the suitability of three different types of SAMs on silicon single-crystals. Alkyl-chain-type SAMs like Octadecylsilane (ODS) monolayer have been formed by immersion of hydroxylated Si(100) in Octadecyltrichlorosilane (CH 3 (CH 27 SiCl 3 ) while SAMs with aromatic spacer groups such as Hydroxybiphenyl (HBP, (C 6 H 6 ) 2 OH) and Ethoxybiphenyl silane (EBP, (C 6 H 6 ) 2 O(CH 2 ) 3 Si(OCH 3 ) 3 ) are formed on Si(111). (Authors)

Recoding between two types of STM representation revealed by the dynamics of memory search

NARCIS (Netherlands)

Leszczyński, Marcin; Myers, Nicolas E.; Akyürek, Elkan G.; Schubö, Anna

Visual STM (VSTM) is thought to be related to visual attention in several ways. Attention controls access to VSTM during memory encoding and plays a role in the maintenance of stored information by strengthening memorized content. We investigated the involvement of visual attention in recall from

Couples coping with cancer: exploration of theoretical frameworks from dyadic studies.

Science.gov (United States)

Regan, Tim W; Lambert, Sylvie D; Kelly, Brian; Falconier, Mariana; Kissane, David; Levesque, Janelle V

2015-12-01

A diagnosis of cancer and subsequent treatment are distressing not only for the person directly affected, but also for their intimate partner. The aim of this review is to (a) identify the main theoretical frameworks underpinning research addressing dyadic coping among couples affected by cancer, (b) summarise the evidence supporting the concepts described in these theoretical frameworks, and (c) examine the similarities and differences between these theoretical perspectives. A literature search was undertaken to identify descriptive studies published between 1990 and 2013 (English and French) that examined the interdependence of patients' and partners' coping, and the impact of coping on psychosocial outcomes. Data were extracted using a standardised form and reviewed by three of the authors. Twenty-three peer-reviewed manuscripts were identified, from which seven theoretical perspectives were derived: Relationship-Focused Coping, Transactional Model of Stress and Coping, Systemic-Transactional Model (STM) of dyadic coping, Collaborative Coping, Relationship Intimacy model, Communication models, and Coping Congruence. Although these theoretical perspectives emphasised different aspects of coping, a number of conceptual commonalities were noted. This review identified key theoretical frameworks of dyadic coping used in cancer. Evidence indicates that responses within the couple that inhibit open communication between partner and patient are likely to have an adverse impact on psychosocial outcomes. Models that incorporate the interdependence of emotional responses and coping behaviours within couples have an emerging evidence base in psycho-oncology and may have greatest validity and clinical utility in this setting. Copyright © 2015 John Wiley & Sons, Ltd.

Self-assembly, Dynamics and Chirality of Conformational Switches on Metal Surfaces Studied by UHV-STM

DEFF Research Database (Denmark)

Nuermaimaiti, Ajiguli

2013-01-01

structures formed by the conformational switches and statistical analysis of conformational states, a detailed study of dynamic processes is performed by acquiring time-resolved STM data. Furthermore, one of the possible applications of conformational switches towards inducing chirality in surface assemblies...

Frameworks for understanding and describing business models

DEFF Research Database (Denmark)

Nielsen, Christian; Roslender, Robin

2014-01-01

This chapter provides in a chronological fashion an introduction to six frameworks that one can apply to describing, understanding and also potentially innovating business models. These six frameworks have been chosen carefully as they represent six very different perspectives on business models...... and in this manner “complement” each other. There are a multitude of varying frameworks that could be chosen from and we urge the reader to search and trial these for themselves. The six chosen models (year of release in parenthesis) are: • Service-Profit Chain (1994) • Strategic Systems Auditing (1997) • Strategy...... Maps (2001) • Intellectual Capital Statements (2003) • Chesbrough’s framework for Open Business Models (2006) • Business Model Canvas (2008)...

The Sentinel-3 Surface Topography Mission (S-3 STM): Level 2 SAR Ocean Retracker

Science.gov (United States)

Dinardo, S.; Lucas, B.; Benveniste, J.

2015-12-01

The SRAL Radar Altimeter, on board of the ESA Mission Sentinel-3 (S-3), has the capacity to operate either in the Pulse-Limited Mode (also known as LRM) or in the novel Synthetic Aperture Radar (SAR) mode. Thanks to the initial results from SAR Altimetry obtained exploiting CryoSat-2 data, lately the interest by the scientific community in this new technology has significantly increased and consequently the definition of accurate processing methodologies (along with validation strategies) has now assumed a capital importance. In this paper, we present the algorithm proposed to retrieve from S-3 STM SAR return waveforms the standard ocean geophysical parameters (ocean topography, wave height and sigma nought) and the validation results that have been so far achieved exploiting the CryoSat-2 data as well as the simulated data. The inversion method (retracking) to extract from the return waveform the geophysical information is a curve best-fitting scheme based on the bounded Levenberg-Marquardt Least-Squares Estimation Method (LEVMAR-LSE). The S-3 STM SAR Ocean retracking algorithm adopts, as return waveform’s model, the “SAMOSA” model [Ray et al, 2014], named after the R&D project SAMOSA (led by Satoc and funded by ESA), in which it has been initially developed. The SAMOSA model is a physically-based model that offers a complete description of a SAR Altimeter return waveform from ocean surface, expressed in the form of maps of reflected power in Delay-Doppler space (also known as stack) or expressed as multilooked echoes. SAMOSA is able to account for an elliptical antenna pattern, mispointing errors in roll and yaw, surface scattering pattern, non-linear ocean wave statistics and spherical Earth surface effects. In spite of its truly comprehensive character, the SAMOSA model comes with a compact analytical formulation expressed in term of Modified Bessel functions. The specifications of the retracking algorithm have been gathered in a technical document (DPM

Bayesian spatial transformation models with applications in neuroimaging data.

Science.gov (United States)

Miranda, Michelle F; Zhu, Hongtu; Ibrahim, Joseph G

2013-12-01

The aim of this article is to develop a class of spatial transformation models (STM) to spatially model the varying association between imaging measures in a three-dimensional (3D) volume (or 2D surface) and a set of covariates. The proposed STM include a varying Box-Cox transformation model for dealing with the issue of non-Gaussian distributed imaging data and a Gaussian Markov random field model for incorporating spatial smoothness of the imaging data. Posterior computation proceeds via an efficient Markov chain Monte Carlo algorithm. Simulations and real data analysis demonstrate that the STM significantly outperforms the voxel-wise linear model with Gaussian noise in recovering meaningful geometric patterns. Our STM is able to reveal important brain regions with morphological changes in children with attention deficit hyperactivity disorder. © 2013, The International Biometric Society.

Principles and simulations of high-resolution STM imaging with a flexible tip apex

Czech Academy of Sciences Publication Activity Database

Krejčí, Ondřej; Hapala, Prokop; Ondráček, Martin; Jelínek, Pavel

2017-01-01

Roč. 95, č. 4 (2017), 1-9, č. článku 045407. ISSN 2469-9950 R&D Projects: GA ČR(CZ) GC14-16963J Institutional support: RVO:68378271 Keywords : STM * AFM * high-resolution Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

Recoding between Two Types of STM Representation Revealed by the Dynamics of Memory Search

Science.gov (United States)

Leszczynski, Marcin; Myers, Nicholas E.; Akyurek, Elkan G.; Schubo, Anna

2012-01-01

Visual STM (VSTM) is thought to be related to visual attention in several ways. Attention controls access to VSTM during memory encoding and plays a role in the maintenance of stored information by strengthening memorized content. We investigated the involvement of visual attention in recall from VSTM. In two experiments, we measured…

Crystallization Kinetics within a Generic Modeling Framework

DEFF Research Database (Denmark)

Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist V.

2014-01-01

of employing a well-structured model library for storage, use/reuse, and analysis of the kinetic models are highlighted. Examples illustrating the application of the modeling framework for kinetic model discrimination related to simulation of specific crystallization scenarios and for kinetic model parameter......A new and extended version of a generic modeling framework for analysis and design of crystallization operations is presented. The new features of this framework are described, with focus on development, implementation, identification, and analysis of crystallization kinetic models. Issues related...... to the modeling of various kinetic phenomena like nucleation, growth, agglomeration, and breakage are discussed in terms of model forms, model parameters, their availability and/or estimation, and their selection and application for specific crystallization operational scenarios under study. The advantages...

Transcriptomic profiling of Burkholderia phymatum STM815, Cupriavidus taiwanensis LMG19424 and Rhizobium mesoamericanum STM3625 in response to Mimosa pudica root exudates illuminates the molecular basis of their nodulation competitiveness and symbiotic evolutionary history.

Science.gov (United States)

Klonowska, Agnieszka; Melkonian, Rémy; Miché, Lucie; Tisseyre, Pierre; Moulin, Lionel

2018-01-30

Rhizobial symbionts belong to the classes Alphaproteobacteria and Betaproteobacteria (called "alpha" and "beta"-rhizobia). Most knowledge on the genetic basis of symbiosis is based on model strains belonging to alpha-rhizobia. Mimosa pudica is a legume that offers an excellent opportunity to study the adaptation toward symbiotic nitrogen fixation in beta-rhizobia compared to alpha-rhizobia. In a previous study (Melkonian et al., Environ Microbiol 16:2099-111, 2014) we described the symbiotic competitiveness of M. pudica symbionts belonging to Burkholderia, Cupriavidus and Rhizobium species. In this article we present a comparative analysis of the transcriptomes (by RNAseq) of B. phymatum STM815 (BP), C. taiwanensis LMG19424 (CT) and R. mesoamericanum STM3625 (RM) in conditions mimicking the early steps of symbiosis (i.e. perception of root exudates). BP exhibited the strongest transcriptome shift both quantitatively and qualitatively, which mirrors its high competitiveness in the early steps of symbiosis and its ancient evolutionary history as a symbiont, while CT had a minimal response which correlates with its status as a younger symbiont (probably via acquisition of symbiotic genes from a Burkholderia ancestor) and RM had a typical response of Alphaproteobacterial rhizospheric bacteria. Interestingly, the upregulation of nodulation genes was the only common response among the three strains; the exception was an up-regulated gene encoding a putative fatty acid hydroxylase, which appears to be a novel symbiotic gene specific to Mimosa symbionts. The transcriptional response to root exudates was correlated to each strain nodulation competitiveness, with Burkholderia phymatum appearing as the best specialised symbiont of Mimosa pudica.

Living on the edge : STM studies of the creation, diffusion and annihilation of surface vacancies

NARCIS (Netherlands)

Schoots, Koen

2007-01-01

This thesis describes an STM study of the creation, diffusion and annihilation of missing atoms, so-called surface vacancies, in the Cu(100) surface. Because of the extremely high mobility of surface vacancies in combination with their extremely low density, we have been forced to use tracer

In-Situ TEM-STM Observations of SWCNT Ropes/Tubular Transformations

Science.gov (United States)

Sola, F.; Lebron-Colon, M.; Ferreira, P. J.; Fonseca, L. F.; Meador, M. A.; Marin, C.

2010-01-01

Single-walled carbon nanotubes (SWCNTs) prepared by the HiPco process were purified using a modified gas phase purification technique. A TEM-STM holder was used to study the morphological changes of SWCNT ropes as a function of applied voltage. Kink formation, buckling behavior, tubular transformation and eventual breakdown of the system were observed. The tubular formation was attributed to a transformation from SWCNT ropes to multi-walled carbon nanotube (MWCNT) structures. It is likely mediated by the patching and tearing mechanism which is promoted primarily by the mobile vacancies generated due to current-induced heating and, to some extent, by electron irradiation.

Multiple frequency ECH (MFECH) in SM-1 and STM-1

International Nuclear Information System (INIS)

Lazar, N.; Barter, J.; Dandl, R.; DiVergilio, W.; Quon, B.; Wuerker, R.

1982-01-01

Plasma properties were studied in a simple mirror (SM-1) and a five-cell axisymmetric tandem mirror (STM-1) using multiple frequency ECH. The cold plasma properties depend predominantly on total power but the efficiency for producing the diamagnetic ring plasma depends critically on heating with multiple frequencies. The effects of frequency separation of the heating sources will be demonstrated. Noise fluctuations in the axial current are suppressed with increasing ring-β, but the observed frequency spectrum are not well understood. Annulus β in the multiple mirror is also dependent on MFECH. Plans for and experiments in the new facility will be described

A framework for API solubility modelling

DEFF Research Database (Denmark)

Conte, Elisa; Gani, Rafiqul; Crafts, Peter

. In addition, most of the models are not predictive and requires experimental data for the calculation of the needed parameters. This work aims at developing an efficient framework for the solubility modelling of Active Pharmaceutical Ingredients (API) in water and organic solvents. With this framework......-SAFT) are used for solubility calculations when the needed interaction parameters or experimental data are available. The CI-UNIFAC is instead used when the previous models lack interaction parameters or when solubility data are not available. A new GC+ model for APIs solvent selection based...... on the hydrophobicity, hydrophilicity and polarity information of the API and solvent is also developed, for performing fast solvent selection and screening. Eventually, all the previous developments are integrated in a framework for their efficient and integrated use. Two case studies are presented: the first...

Crystallization Kinetics within a Generic Modelling Framework

DEFF Research Database (Denmark)

Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist

2013-01-01

An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....

Preparation of Atomically Flat Si(111)-H Surfaces in Aqueous Ammonium Fluoride Solutions Investigated by Using Electrochemical, In Situ EC-STM and ATR-FTIR Spectroscopic Methods

International Nuclear Information System (INIS)

Bae, Sang Eun; Oh, Mi Kyung; Min, Nam Ki; Paek, Se Hwan; Hong, Suk In; Lee, Chi-Woo J.

2004-01-01

Electrochemical, in situ electrochemical scanning tunneling microscope (EC-STM), and attenuated total reflectance-FTIR (ATR-FTIR) spectroscopic methods were employed to investigate the preparation of atomically flat Si(111)-H surface in ammonium fluoride solutions. Electrochemical properties of atomically flat Si(111)-H surface were characterized by anodic oxidation and cathodic hydrogen evolution with the open circuit potential (OCP) of ca. .0.4 V in concentrated ammonium fluoride solutions. As soon as the natural oxide-covered Si(111) electrode was immersed in fluoride solutions, OCP quickly shifted to near .1 V, which was more negative than the flat band potential of silicon surface, indicating that the surface silicon oxide had to be dissolved into the solution. OCP changed to become less negative as the oxide layer was being removed from the silicon surface. In situ EC-STM data showed that the surface was changed from the initial oxide covered silicon to atomically rough hydrogen-terminated surface and then to atomically flat hydrogen terminated surface as the OCP moved toward less negative potentials. The atomically flat Si(111)-H structure was confirmed by in situ EC-STM and ATR-FTIR data. The dependence of atomically flat Si(111)-H terrace on mis-cut angle was investigated by STM, and the results agreed with those anticipated by calculation. Further, the stability of Si(111)-H was checked by STM in ambient laboratory conditions

Geologic Framework Model Analysis Model Report

Energy Technology Data Exchange (ETDEWEB)

R. Clayton

2000-12-19

The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M&O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and the

Geologic Framework Model Analysis Model Report

International Nuclear Information System (INIS)

Clayton, R.

2000-01-01

The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M and O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and

On the Use of Memory Models in Audio Features

DEFF Research Database (Denmark)

Jensen, Karl Kristoffer

2011-01-01

Audio feature estimation is potentially improved by including higher- level models. One such model is the Short Term Memory (STM) model. A new paradigm of audio feature estimation is obtained by adding the influence of notes in the STM. These notes are identified when the perceptual spectral flux...

Programmable set-up for electrochemical preparation of STM tips and ultra-sharp field emission cathodes

Czech Academy of Sciences Publication Activity Database

Knápek, Alexandr; Sýkora, Jiří; Chlumská, Jana; Sobola, D.

2017-01-01

Roč. 173, APR 5 (2017), s. 42-47 ISSN 0167-9317 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : field emission cathode * STM tip * electrochemical etching Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering OBOR OECD: Chemical process engineering Impact factor: 1.806, year: 2016

STM Imaging of Localized Surface Plasmons on Individual Gold Nanoislands.

Science.gov (United States)

Nguyen, Huy A; Banerjee, Progna; Nguyen, Duc; Lyding, Joseph W; Gruebele, Martin; Jain, Prashant K

2018-04-19

An optically modulated scanning tunneling microscopy technique developed for measurement of single-molecule optical absorption is used here to image the light absorption by individual Au nanoislands and Au nanostructures. The technique is shown to spatially map, with nanometer resolution, localized surface plasmons (LSPs) excited within the nanoislands. Electrodynamic simulations demonstrate the correspondence of the measured images to plasmonic near-field intensity maps. The optical STM imaging technique captures the wavelength, polarization, and geometry dependence of the LSP resonances and their corresponding near-fields. Thus, we introduce a tool for real-space, nanometer-scale visualization of optical energy absorption, transport, and dissipation in complex plasmonic nanostructures.

Theoretical studies of finite size effects and screening effects caused by a STM tip in Luettinger liquids

International Nuclear Information System (INIS)

Guigou, Marine

2009-01-01

This thesis takes place in the field of condensed matter. More precisely, we focus on the finite size effects and the screening effects caused by a STM tip in a quantum wire. For that, we use, first, the Luettinger liquid theory, which allows to describe strongly correlated systems and secondly, the Keldysh formalism, which is necessary to treat the out-of-equilibrium systems. For these studies, we consider, the currant, the noise and the conductance. The noise presents a non-Poissonian behaviour, when finite size effects appear. Through the photo-assisted transport, it is shown that those effects hide the effects of the Coulomb interactions. Considering the proximity between the STM tip, used as a probe or as an injector, and a quantum wire, screening effects appear. We can conclude that they play a similar role to those of Coulomb interactions. (author) [fr

Cytoview: Development of a cell modelling framework

Indian Academy of Sciences (India)

2007-07-06

Jul 6, 2007 ... The different issues that have been addressed are ontologies, feature description and model building. The framework describes dotted representations and tree data structures to integrate diverse pieces of data and parametric models enabling size, shape and location descriptions. The framework serves ...

COSMO: a conceptual framework for service modelling and refinement

NARCIS (Netherlands)

Quartel, Dick; Steen, Maarten W.A.; Pokraev, S.; van Sinderen, Marten J.

This paper presents a conceptual framework for service modelling and refinement, called the COSMO (COnceptual Service MOdelling) framework. This framework provides concepts to model and reason about services, and to support operations, such as composition and discovery, which are performed on them

A framework for sustainable interorganizational business model

OpenAIRE

Neupane, Ganesh Prasad; Haugland, Sven A.

2016-01-01

Drawing on literature on business model innovations and sustainability, this paper develops a framework for sustainable interorganizational business models. The aim of the framework is to enhance the sustainability of firms’ business models by enabling firms to create future value by taking into account environmental, social and economic factors. The paper discusses two themes: (1) application of the term sustainability to business model innovation, and (2) implications of integrating sustain...

Photoemission and STM, STS study of Cs/p-GaAs(110)

International Nuclear Information System (INIS)

Yamada, T.; Fujii, J.; Mizoguchi, T.

2001-01-01

Various stage of adsorbed Cs, i.e., one-dimensional (1D) lines, polygons and coherently c(4x4)-ordered polygons, on cleaved p-GaAs(110) are studied by scanning tunneling microscopy (STM) and scanning tunneling spectroscopies (STS) with an interest in relation to the photo-electron emission. It is understood that only the coherently c(4x4)-ordered Cs polygon surface (Cs coverage of 0.6 ML and 0.7 ML) can emit photo-electrons due to a sufficient reduction of the local work function down to 1.3 eV to get a negative electron affinity state

An Ising model for metal-organic frameworks

Science.gov (United States)

Höft, Nicolas; Horbach, Jürgen; Martín-Mayor, Victor; Seoane, Beatriz

2017-08-01

We present a three-dimensional Ising model where lines of equal spins are frozen such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins). We demonstrate that this "porous Ising model" can be seen as a minimal model for condensation transitions of gas molecules in metal-organic frameworks. Using Monte Carlo simulation techniques, we compare the phase behavior of a porous Ising model with that of a particle-based model for the condensation of methane (CH4) in the isoreticular metal-organic framework IRMOF-16. For both models, we find a line of first-order phase transitions that end in a critical point. We show that the critical behavior in both cases belongs to the 3D Ising universality class, in contrast to other phase transitions in confinement such as capillary condensation.

A Unified Framework for Systematic Model Improvement

DEFF Research Database (Denmark)

Kristensen, Niels Rode; Madsen, Henrik; Jørgensen, Sten Bay

2003-01-01

A unified framework for improving the quality of continuous time models of dynamic systems based on experimental data is presented. The framework is based on an interplay between stochastic differential equation (SDE) modelling, statistical tests and multivariate nonparametric regression. This co......-batch bioreactor, where it is illustrated how an incorrectly modelled biomass growth rate can be pinpointed and an estimate provided of the functional relation needed to properly describe it....

STM and transport measurements of highly charged ion modified materials

International Nuclear Information System (INIS)

Pomeroy, J.M.; Grube, H.; Perrella, A.C.; Gillaspy, J.D.

2007-01-01

Careful measurements of highly charged ions (HCIs) colliding with gases and surfaces have provided glimpses of intense electronic interactions, but a comprehensive model for the interaction mechanisms, time scales, and resultant nano-features that bridges materials systems is yet to be realized. At the National Institute of Standards and Technology (NIST) electron beam ion trap (EBIT) facility, new apparatus is now connected to the HCI beamline to allow preparation of clean, atomically flat surfaces of single crystals, e.g. gold, tungsten and silicon, and deposition and patterning of thin films, e.g. high resistivity oxides, ferromagnetic metals, normal metals and superconductors. Experiments reported here focus on the electronic and morphological structure of HCI induced nano-features. Current activities are focused on using in situ scanning tunneling microscope (STM) on Au(1 1 1) and (separately) ex situ transport measurements to study electronic properties within HCI modified magnetic multilayer systems. Specifically, we are fabricating magnetic multilayers similar to magnetic tunnel junctions (MTJs) (important in advanced magnetic field sensors and superconducting Josephson junction devices) and using HCIs to adjust critical electronic properties. The electrical response of the tunnel junction to HCIs provides a novel approach to performing HCI-induced nanostructure ensemble measurements

A modelling framework to simulate foliar fungal epidemics using functional-structural plant models.

Science.gov (United States)

Garin, Guillaume; Fournier, Christian; Andrieu, Bruno; Houlès, Vianney; Robert, Corinne; Pradal, Christophe

2014-09-01

Sustainable agriculture requires the identification of new, environmentally responsible strategies of crop protection. Modelling of pathosystems can allow a better understanding of the major interactions inside these dynamic systems and may lead to innovative protection strategies. In particular, functional-structural plant models (FSPMs) have been identified as a means to optimize the use of architecture-related traits. A current limitation lies in the inherent complexity of this type of modelling, and thus the purpose of this paper is to provide a framework to both extend and simplify the modelling of pathosystems using FSPMs. Different entities and interactions occurring in pathosystems were formalized in a conceptual model. A framework based on these concepts was then implemented within the open-source OpenAlea modelling platform, using the platform's general strategy of modelling plant-environment interactions and extending it to handle plant interactions with pathogens. New developments include a generic data structure for representing lesions and dispersal units, and a series of generic protocols to communicate with objects representing the canopy and its microenvironment in the OpenAlea platform. Another development is the addition of a library of elementary models involved in pathosystem modelling. Several plant and physical models are already available in OpenAlea and can be combined in models of pathosystems using this framework approach. Two contrasting pathosystems are implemented using the framework and illustrate its generic utility. Simulations demonstrate the framework's ability to simulate multiscaled interactions within pathosystems, and also show that models are modular components within the framework and can be extended. This is illustrated by testing the impact of canopy architectural traits on fungal dispersal. This study provides a framework for modelling a large number of pathosystems using FSPMs. This structure can accommodate both

An evaluation framework for participatory modelling

Science.gov (United States)

Krueger, T.; Inman, A.; Chilvers, J.

2012-04-01

Strong arguments for participatory modelling in hydrology can be made on substantive, instrumental and normative grounds. These arguments have led to increasingly diverse groups of stakeholders (here anyone affecting or affected by an issue) getting involved in hydrological research and the management of water resources. In fact, participation has become a requirement of many research grants, programs, plans and policies. However, evidence of beneficial outcomes of participation as suggested by the arguments is difficult to generate and therefore rare. This is because outcomes are diverse, distributed, often tacit, and take time to emerge. In this paper we develop an evaluation framework for participatory modelling focussed on learning outcomes. Learning encompasses many of the potential benefits of participation, such as better models through diversity of knowledge and scrutiny, stakeholder empowerment, greater trust in models and ownership of subsequent decisions, individual moral development, reflexivity, relationships, social capital, institutional change, resilience and sustainability. Based on the theories of experiential, transformative and social learning, complemented by practitioner experience our framework examines if, when and how learning has occurred. Special emphasis is placed on the role of models as learning catalysts. We map the distribution of learning between stakeholders, scientists (as a subgroup of stakeholders) and models. And we analyse what type of learning has occurred: instrumental learning (broadly cognitive enhancement) and/or communicative learning (change in interpreting meanings, intentions and values associated with actions and activities; group dynamics). We demonstrate how our framework can be translated into a questionnaire-based survey conducted with stakeholders and scientists at key stages of the participatory process, and show preliminary insights from applying the framework within a rural pollution management situation in

A DSM-based framework for integrated function modelling

DEFF Research Database (Denmark)

Eisenbart, Boris; Gericke, Kilian; Blessing, Lucienne T. M.

2017-01-01

an integrated function modelling framework, which specifically aims at relating between the different function modelling perspectives prominently addressed in different disciplines. It uses interlinked matrices based on the concept of DSM and MDM in order to facilitate cross-disciplinary modelling and analysis...... of the functionality of a system. The article further presents the application of the framework based on a product example. Finally, an empirical study in industry is presented. Therein, feedback on the potential of the proposed framework to support interdisciplinary design practice as well as on areas of further...

A Framework for Video Modeling

NARCIS (Netherlands)

Petkovic, M.; Jonker, Willem

In recent years, research in video databases has increased greatly, but relatively little work has been done in the area of semantic content-based retrieval. In this paper, we present a framework for video modelling with emphasis on semantic content of video data. The video data model presented

A model-based risk management framework

Energy Technology Data Exchange (ETDEWEB)

Gran, Bjoern Axel; Fredriksen, Rune

2002-08-15

The ongoing research activity addresses these issues through two co-operative activities. The first is the IST funded research project CORAS, where Institutt for energiteknikk takes part as responsible for the work package for Risk Analysis. The main objective of the CORAS project is to develop a framework to support risk assessment of security critical systems. The second, called the Halden Open Dependability Demonstrator (HODD), is established in cooperation between Oestfold University College, local companies and HRP. The objective of HODD is to provide an open-source test bed for testing, teaching and learning about risk analysis methods, risk analysis tools, and fault tolerance techniques. The Inverted Pendulum Control System (IPCON), which main task is to keep a pendulum balanced and controlled, is the first system that has been established. In order to make risk assessment one need to know what a system does, or is intended to do. Furthermore, the risk assessment requires correct descriptions of the system, its context and all relevant features. A basic assumption is that a precise model of this knowledge, based on formal or semi-formal descriptions, such as UML, will facilitate a systematic risk assessment. It is also necessary to have a framework to integrate the different risk assessment methods. The experiences so far support this hypothesis. This report presents CORAS and the CORAS model-based risk management framework, including a preliminary guideline for model-based risk assessment. The CORAS framework for model-based risk analysis offers a structured and systematic approach to identify and assess security issues of ICT systems. From the initial assessment of IPCON, we also believe that the framework is applicable in a safety context. Further work on IPCON, as well as the experiences from the CORAS trials, will provide insight and feedback for further improvements. (Author)

Hardware-Software Complex for Functional and Parametric Tests of ARM Microcontrollers STM32F1XX

Directory of Open Access Journals (Sweden)

Egorov Aleksey

2016-01-01

Full Text Available The article presents the hardware-software complex for functional and parametric tests of ARM microcontrollers STM32F1XX. The complex is based on PXI devices by National Instruments and LabVIEW software environment. Data exchange procedure between a microcontroller under test and the complex hardware is describes. Some test results are also presented.

Koopman Operator Framework for Time Series Modeling and Analysis

Science.gov (United States)

Surana, Amit

2018-01-01

We propose an interdisciplinary framework for time series classification, forecasting, and anomaly detection by combining concepts from Koopman operator theory, machine learning, and linear systems and control theory. At the core of this framework is nonlinear dynamic generative modeling of time series using the Koopman operator which is an infinite-dimensional but linear operator. Rather than working with the underlying nonlinear model, we propose two simpler linear representations or model forms based on Koopman spectral properties. We show that these model forms are invariants of the generative model and can be readily identified directly from data using techniques for computing Koopman spectral properties without requiring the explicit knowledge of the generative model. We also introduce different notions of distances on the space of such model forms which is essential for model comparison/clustering. We employ the space of Koopman model forms equipped with distance in conjunction with classical machine learning techniques to develop a framework for automatic feature generation for time series classification. The forecasting/anomaly detection framework is based on using Koopman model forms along with classical linear systems and control approaches. We demonstrate the proposed framework for human activity classification, and for time series forecasting/anomaly detection in power grid application.

Nanoscopic platinum particles on TiO{sub 2}(110). STM and point-contact studies on the chemical and photosensitivity; Nanoskopische Platin-Teilchen auf TiO{sub 2}(110). STM- und Punktkontaktuntersuchungen zur chemischen und Photosensitivitaet

Energy Technology Data Exchange (ETDEWEB)

Koelbach, Johannes Micha

2009-06-23

In the ultra high vacuum produced nanoscopical platinum particles on TiO{sub 2}(110)- single crystal surfaces are contacted with the tunneltip of a raster tunnel microscope, and the chemical as well as photo sensitivity of an individual hetero contact are determined. For the experiments a UHV equipment was developed, equipped with methods to the controlled preparation and surface-analytic techniques (LEED, AES and STM). Platinum is resistively evaporated and thus small platinum particles with a size of about 8nm are generated on the pure titanium dioxide surface and characterized by STM and STS. A new developed oxygen source based on zirconoxide ceramics enables in-situ experiments for undisturbed determination of current-voltage characteristics in the tunneling and contact mode. A special preamplifier with controllable range of amplification is applied. Applying a voltage to the ceramic oxygen can be let into the UHV chamber by the oxygen source and the partial pressure can be adjusted within the range of 1.10{sup -10} mbar to 1.10{sup -5} mbar. The effect of the oxygen on the electrical characteristics of the Pt/TiO{sub 2}-contacts was proven. The clear dependence of the current-voltage characteristics on the oxygen partial pressure can be explained as a result of interface states due to the dissociation and adsorption of the oxygen, which determine the electrical characteristic of the contact. Schottky barriere heights and quality parameters were determined and compared with values of macroscopic surface contacts. For the investigations of the photo sensitivity a special STM head was developed, which enables the coupling of laser light with a wavelength of 413.1 nm. Irradiation of the nanoscopical Pt/TiO{sub 2}-contacts changes the current-voltage characteristics as well. The results of the power-dependent measurements refer to a temperature effect, that dominates the photoelectric effect. The combined power-and oxygen partial pressure dependent measurements are

A Simulation and Modeling Framework for Space Situational Awareness

International Nuclear Information System (INIS)

Olivier, S.S.

2008-01-01

This paper describes the development and initial demonstration of a new, integrated modeling and simulation framework, encompassing the space situational awareness enterprise, for quantitatively assessing the benefit of specific sensor systems, technologies and data analysis techniques. The framework is based on a flexible, scalable architecture to enable efficient, physics-based simulation of the current SSA enterprise, and to accommodate future advancements in SSA systems. In particular, the code is designed to take advantage of massively parallel computer systems available, for example, at Lawrence Livermore National Laboratory. The details of the modeling and simulation framework are described, including hydrodynamic models of satellite intercept and debris generation, orbital propagation algorithms, radar cross section calculations, optical brightness calculations, generic radar system models, generic optical system models, specific Space Surveillance Network models, object detection algorithms, orbit determination algorithms, and visualization tools. The use of this integrated simulation and modeling framework on a specific scenario involving space debris is demonstrated

Business model framework applications in health care: A systematic review.

Science.gov (United States)

Fredriksson, Jens Jacob; Mazzocato, Pamela; Muhammed, Rafiq; Savage, Carl

2017-11-01

It has proven to be a challenge for health care organizations to achieve the Triple Aim. In the business literature, business model frameworks have been used to understand how organizations are aligned to achieve their goals. We conducted a systematic literature review with an explanatory synthesis approach to understand how business model frameworks have been applied in health care. We found a large increase in applications of business model frameworks during the last decade. E-health was the most common context of application. We identified six applications of business model frameworks: business model description, financial assessment, classification based on pre-defined typologies, business model analysis, development, and evaluation. Our synthesis suggests that the choice of business model framework and constituent elements should be informed by the intent and context of application. We see a need for harmonization in the choice of elements in order to increase generalizability, simplify application, and help organizations realize the Triple Aim.

A business model design framework for viability : a business ecosystem approach

NARCIS (Netherlands)

D'Souza, Austin; Velthuijsen, Hugo; Wortmann, J.C.; Huitema, George

2015-01-01

Purpose: To facilitate the design of viable business models by proposing a novel business model design framework for viability. Design: A design science research method is adopted to develop a business model design framework for viability. The business model design framework for viability is

Water adsorption on O(2x2)/Ru(0001) from STM experiments andfirst-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Cabrera-Sanfelix, P.; Sanchez-Portal, D.; Mugarza, A.; Shimizu,T.K.; Salmeron, M.; Arnau, A.

2007-10-15

We present a combined theoretical and experimental study of water adsorption on Ru(0001) pre-covered with 0.25 monolayers (ML) of oxygen forming a (2 x 2) structure. Several structures were analyzed by means of Density Functional Theory calculations for which STM simulations were performed and compared with experimental data. Up to 0.25 monolayers the molecules bind to the exposed Ru atoms of the 2 x 2 unit cell via the lone pair orbitals. The molecular plane is almost parallel to the surface with its H atoms pointing towards the chemisorbed O atoms of the 2 x 2 unit cell forming hydrogen bonds. The existence of these additional hydrogen bonds increases the adsorption energy of the water molecule to approximately 616 meV, which is {approx}220 meV more stable than on the clean Ru(0001) surface with a similar configuration. The binding energy shows only a weak dependence on water coverage, with a shallow minimum for a row structure at 0.125 ML. This is consistent with the STM experiments that show a tendency of the molecules to form linear rows at intermediate coverage. Our calculations also suggest the possible formation of water dimers near 0.25 ML.

New sub-family of lysozyme-like proteins shows no catalytic activity: crystallographic and biochemical study of STM3605 protein from Salmonella Typhimurium

Energy Technology Data Exchange (ETDEWEB)

Michalska, Karolina; Brown, Roslyn N.; Li, Hui; Jedrzejczak, Robert; Niemann, George; Heffron, Fred; Cort, John R.; Adkins, Joshua N.; Babnigg, Gyorgy; Joachimiak, Andrzej

2013-03-01

Phage viruses that infect prokaryotes integrate their genome into the host chromosome; thus, microbial genomes typically contain genetic remnants of both recent and ancient phage infections. Often phage genes occur in clusters of atypical G+C content that reflect integration of the foreign DNA. However, some phage genes occur in isolation without other phage gene neighbors, probably resulting from horizontal gene transfer. In these cases, the phage gene product is unlikely to function as a component of a mature phage particle, and instead may have been co-opted by the host for its own benefit. The product of one such gene from Salmonella enterica serovar Typhimurium, STM3605, encodes a protein with modest sequence similarity to phage-like lysozyme (N-acetylmuramidase) but appears to lack essential catalytic residues that are strictly conserved in all lysozymes. Close homologs in other bacteria share this characteristic. The structure of the STM3605 protein was characterized by X-ray crystallography, and functional assays showed that it is a stable, folded protein whose structure closely resembles lysozyme. However, this protein is unlikely to hydrolyze peptidoglycan. Instead, STM3605 is presumed to have evolved an alternative function because it shows some lytic activity and partitions to micelles.

Nonlinear model predictive control of a passenger vehicle for automated lane changes

NARCIS (Netherlands)

Acosta, A.F.; Marquez-Ruiz, A.; Espinosa, J.J.

2017-01-01

This article presents a nonlinear Model Predictive Control (MPC) for lane changes, based on a simplified Single Track Model (STM) of the vehicle. The STM includes the position of the vehicle in global coordinates as a state so that the position of the target lane can be specified to the MPC for

Population balance models: a useful complementary modelling framework for future WWTP modelling

DEFF Research Database (Denmark)

Nopens, Ingmar; Torfs, Elena; Ducoste, Joel

2015-01-01

Population balance models (PBMs) represent a powerful modelling framework for the description of the dynamics of properties that are characterised by distributions. This distribution of properties under transient conditions has been demonstrated in many chemical engineering applications. Modelling...

A mixed model framework for teratology studies.

Science.gov (United States)

Braeken, Johan; Tuerlinckx, Francis

2009-10-01

A mixed model framework is presented to model the characteristic multivariate binary anomaly data as provided in some teratology studies. The key features of the model are the incorporation of covariate effects, a flexible random effects distribution by means of a finite mixture, and the application of copula functions to better account for the relation structure of the anomalies. The framework is motivated by data of the Boston Anticonvulsant Teratogenesis study and offers an integrated approach to investigate substantive questions, concerning general and anomaly-specific exposure effects of covariates, interrelations between anomalies, and objective diagnostic measurement.

Growth of Ag thin films on ZnO(0 0 0 -1) investigated by AES and STM

Energy Technology Data Exchange (ETDEWEB)

Duriau, E. [Interuniversity Microelectronic Center (IMEC), SPDT-MCA, Kapeldreef 75, B-3001 Leuven (Belgium); Agouram, S. [Dpto. Fisica Aplicada y Electromagnetismo c/Dr. Moliner no. 50, 46100 Burjassot, Valencia (Spain); Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium); Morhain, C. [Centre de Recherche sur l' HeteroEpitaxie et ses Applications (CRHEA), CNRS, Rue Bernard Gregory, F-06560 Valbonne Sophia-Antipolis (France); Seldrum, T. [Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium); Sporken, R. [Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium); Dumont, J. [Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium)]. E-mail: jacques.dumont@fundp.ac.be

2006-11-15

The growth of Ag films on ZnO(0 0 0 -1) has been investigated by Auger electron spectroscopy (AES) and scanning tunneling microscopy (STM). A high density of islands is nucleated at the earliest stages of the growth. An upstepping mechanism causes these islands to coalesce while the uncovered fraction of the ZnO surface remains constant (30%)

Music Genre Classification using an Auditory Memory Model

DEFF Research Database (Denmark)

Jensen, Kristoffer

2011-01-01

Audio feature estimation is potentially improved by including higher- level models. One such model is the Auditory Short Term Memory (STM) model. A new paradigm of audio feature estimation is obtained by adding the influence of notes in the STM. These notes are identified when the perceptual...... results, and an initial experiment with sensory dissonance has been undertaken with good results. The parameters obtained form the auditory memory model, along with the dissonance measure, are shown here to be of interest in genre classification....

Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects

DEFF Research Database (Denmark)

Besenbacher, Flemming; Brorson, M.; Clausen, B.S.

2008-01-01

The present article will highlight some recent experimental and theoretical studies of both unpromoted MoS2 and promoted Co-Mo-S and NiMo-S nanostructures. Particular emphasis will be given to discussion of our scanning tunnelling microscopy (STM), density functional theory (I)FT), and high...... and support effects which play an important role in practical HDS. Recent STM studies have shown that MoS2 clusters below 2-3 nm may exhibit new structural and electronic properties, and a large variety of size-dependent structures have been identified. In view of the large structure sensitivity......-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) studies which have provided insight into the detailed atomic structure. In accordance with earlier theoretical studies, the experimental studies show that the Ni-Mo-S structures may in some instances differ from the Co...

In Situ STM and AFM of the Copper Protein Pseudomonas Aeruginosa Azurin

DEFF Research Database (Denmark)

Friis, Esben P.; Andersen, Jens Enevold Thaulov; Madsen, L.L.

1997-01-01

to gold and facile electron tunnel routes between this group and the copper atom. Azurin adsorbed on Au(111) can be imaged to molecular resolution by in situ STM and shows regular arrays of individual structures corresponding well to the known molecular size of azurin. The current falls off approximately...... exponentially with increasing distance with a decay constant of 0.4–0.5 Å−1. In comparison in situ AFM shows structures laterally convoluted with the tip while the vertical extension is in the same range as the structural size of azurin. The results are of interest in relation to electron tunnel mechanisms...

Population Balance Models: A useful complementary modelling framework for future WWTP modelling

DEFF Research Database (Denmark)

Nopens, Ingmar; Torfs, Elena; Ducoste, Joel

2014-01-01

Population Balance Models (PBMs) represent a powerful modelling framework for the description of the dynamics of properties that are characterised by statistical distributions. This has been demonstrated in many chemical engineering applications. Modelling efforts of several current and future unit...

Exploring routes to tailor the physical and chemical properties of oxides via doping: an STM study

International Nuclear Information System (INIS)

Nilius, Niklas

2015-01-01

Doping opens fascinating possibilities for tailoring the electronic, optical, magnetic, and chemical properties of oxides. The dopants perturb the intrinsic behavior of the material by generating charge centers for electron transfer into adsorbates, by inducing new energy levels for electronic and optical excitations, and by altering the surface morphology and hence the adsorption and reactivity pattern. Despite a vivid scientific interest, knowledge on doped oxides is limited when compared to semiconductors, which reflects the higher complexity and the insulating nature of many oxides. In fact, atomic-scale studies, aiming at a mechanistic understanding of dopant-related processes, are still scarce.In this article, we review our scanning tunneling microscopy (STM) experiments on thin, crystalline oxide films with a defined doping level. We demonstrate how the impurities alter the surface morphology and produce cationic/anionic vacancies in order to keep the system charge neutral. We discuss how individual dopants can be visualized in the lattice, even if they reside in subsurface layers. By means of STM-conductance and x-ray photoelectron spectroscopy, we determine the electronic impact of dopants, including the energies of their eigen states and local band-bending effects in the host oxide. Electronic transitions between dopant-induced gap states give rise to new optical modes, as detected with STM luminescence spectroscopy. From a chemical perspective, dopants are introduced to improve the redox potential of oxide materials. Electron transfer from Mo-donors, for example, alters the growth behavior of gold and activates O 2 molecules on a wide-gap CaO surface. Such results demonstrate the enormous potential of doped oxides in heterogeneous catalysis. Our experiments address the issue of doping from a fundamental viewpoint, posing questions on the lattice position, charge state, and electron-transfer potential of the impurity ions. Whether doped oxides are

Exploring routes to tailor the physical and chemical properties of oxides via doping: an STM study

Science.gov (United States)

Nilius, Niklas

2015-08-01

Doping opens fascinating possibilities for tailoring the electronic, optical, magnetic, and chemical properties of oxides. The dopants perturb the intrinsic behavior of the material by generating charge centers for electron transfer into adsorbates, by inducing new energy levels for electronic and optical excitations, and by altering the surface morphology and hence the adsorption and reactivity pattern. Despite a vivid scientific interest, knowledge on doped oxides is limited when compared to semiconductors, which reflects the higher complexity and the insulating nature of many oxides. In fact, atomic-scale studies, aiming at a mechanistic understanding of dopant-related processes, are still scarce. In this article, we review our scanning tunneling microscopy (STM) experiments on thin, crystalline oxide films with a defined doping level. We demonstrate how the impurities alter the surface morphology and produce cationic/anionic vacancies in order to keep the system charge neutral. We discuss how individual dopants can be visualized in the lattice, even if they reside in subsurface layers. By means of STM-conductance and x-ray photoelectron spectroscopy, we determine the electronic impact of dopants, including the energies of their eigen states and local band-bending effects in the host oxide. Electronic transitions between dopant-induced gap states give rise to new optical modes, as detected with STM luminescence spectroscopy. From a chemical perspective, dopants are introduced to improve the redox potential of oxide materials. Electron transfer from Mo-donors, for example, alters the growth behavior of gold and activates O2 molecules on a wide-gap CaO surface. Such results demonstrate the enormous potential of doped oxides in heterogeneous catalysis. Our experiments address the issue of doping from a fundamental viewpoint, posing questions on the lattice position, charge state, and electron-transfer potential of the impurity ions. Whether doped oxides are

Strut elaboration in strut-and-tie model

Directory of Open Access Journals (Sweden)

Mohammad PANJEHPOUR

2012-12-01

Full Text Available The Strut-and-Tie Model (STM has been incorporated into the codes and standards because of its consistency and rationality since last decade. However, it has encountered few challenges whilst its implementation. The effective compressive strength of strut has been a complex issue among researchers since emergence of STM. This review serves as a base for future developments of STM. It addresses several ways towards enhancing our understanding of strut performance in the STM. It also throws up questions for further investigation of effective compressive strength of strut in the STM. This review is confined to the evaluation of strut effectiveness factor based on the available codes and standards particularly AASHTO LRFD and ACI 318-08. According to the example given in this paper, there is sometimes a marked difference of approximately 50% between strut effectiveness factor recommended by AASHTO LRFD and ACI 318-08. More broadly, research is needed to determine which of the complicated strut effectiveness factor recommended by AASHTO LRFD and the simple one recommended by ACI 318-08 is optimum.

Systematic identification of crystallization kinetics within a generic modelling framework

DEFF Research Database (Denmark)

Abdul Samad, Noor Asma Fazli Bin; Meisler, Kresten Troelstrup; Gernaey, Krist

2012-01-01

A systematic development of constitutive models within a generic modelling framework has been developed for use in design, analysis and simulation of crystallization operations. The framework contains a tool for model identification connected with a generic crystallizer modelling tool-box, a tool...

A Framework for Developing the Structure of Public Health Economic Models.

Science.gov (United States)

Squires, Hazel; Chilcott, James; Akehurst, Ronald; Burr, Jennifer; Kelly, Michael P

2016-01-01

A conceptual modeling framework is a methodology that assists modelers through the process of developing a model structure. Public health interventions tend to operate in dynamically complex systems. Modeling public health interventions requires broader considerations than clinical ones. Inappropriately simple models may lead to poor validity and credibility, resulting in suboptimal allocation of resources. This article presents the first conceptual modeling framework for public health economic evaluation. The framework presented here was informed by literature reviews of the key challenges in public health economic modeling and existing conceptual modeling frameworks; qualitative research to understand the experiences of modelers when developing public health economic models; and piloting a draft version of the framework. The conceptual modeling framework comprises four key principles of good practice and a proposed methodology. The key principles are that 1) a systems approach to modeling should be taken; 2) a documented understanding of the problem is imperative before and alongside developing and justifying the model structure; 3) strong communication with stakeholders and members of the team throughout model development is essential; and 4) a systematic consideration of the determinants of health is central to identifying the key impacts of public health interventions. The methodology consists of four phases: phase A, aligning the framework with the decision-making process; phase B, identifying relevant stakeholders; phase C, understanding the problem; and phase D, developing and justifying the model structure. Key areas for further research involve evaluation of the framework in diverse case studies and the development of methods for modeling individual and social behavior. This approach could improve the quality of Public Health economic models, supporting efficient allocation of scarce resources. Copyright © 2016 International Society for Pharmacoeconomics

Formation of Rh-Au core-shell nanoparticles on TiO.sub.2./sub.(110) surface studied by STM and LEIS

Czech Academy of Sciences Publication Activity Database

Óvari, L.; Berkó, A.; Balázs, N.; Majzik, Zsolt; Kiss, J.

2010-01-01

Roč. 26, č. 3 (2010), s. 2167-2175 ISSN 0743-7463 Institutional research plan: CEZ:AV0Z10100521 Keywords : surface diffusion of gold * STM * LEIS Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.269, year: 2010

A Framework for Formal Modeling and Analysis of Organizations

NARCIS (Netherlands)

Jonker, C.M.; Sharpanskykh, O.; Treur, J.; P., Yolum

2007-01-01

A new, formal, role-based, framework for modeling and analyzing both real world and artificial organizations is introduced. It exploits static and dynamic properties of the organizational model and includes the (frequently ignored) environment. The transition is described from a generic framework of

Conceptual Frameworks in the Doctoral Research Process: A Pedagogical Model

Science.gov (United States)

Berman, Jeanette; Smyth, Robyn

2015-01-01

This paper contributes to consideration of the role of conceptual frameworks in the doctoral research process. Through reflection on the two authors' own conceptual frameworks for their doctoral studies, a pedagogical model has been developed. The model posits the development of a conceptual framework as a core element of the doctoral…

Computer-aided modeling framework – a generic modeling template

DEFF Research Database (Denmark)

Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

and test models systematically, efficiently and reliably. In this way, development of products and processes can be made faster, cheaper and more efficient. In this contribution, as part of the framework, a generic modeling template for the systematic derivation of problem specific models is presented....... The application of the modeling template is highlighted with a case study related to the modeling of a catalytic membrane reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene...

A Framework for the Specification of Acquisition Models

National Research Council Canada - National Science Library

Meyers, B

2001-01-01

.... The timing properties associated with the items receives special treatment. The value of a framework is that one can develop specifications of various acquisition models, such as waterfall, spiral, or incremental, as instances of that framework...

Frameworks for Assessing the Quality of Modeling and Simulation Capabilities

Science.gov (United States)

Rider, W. J.

2012-12-01

The importance of assuring quality in modeling and simulation has spawned several frameworks for structuring the examination of quality. The format and content of these frameworks provides an emphasis, completeness and flow to assessment activities. I will examine four frameworks that have been developed and describe how they can be improved and applied to a broader set of high consequence applications. Perhaps the first of these frameworks was known as CSAU [Boyack] (code scaling, applicability and uncertainty) used for nuclear reactor safety and endorsed the United States' Nuclear Regulatory Commission (USNRC). This framework was shaped by nuclear safety practice, and the practical structure needed after the Three Mile Island accident. It incorporated the dominant experimental program, the dominant analysis approach, and concerns about the quality of modeling. The USNRC gave it the force of law that made the nuclear industry take it seriously. After the cessation of nuclear weapons' testing the United States began a program of examining the reliability of these weapons without testing. This program utilizes science including theory, modeling, simulation and experimentation to replace the underground testing. The emphasis on modeling and simulation necessitated attention on the quality of these simulations. Sandia developed the PCMM (predictive capability maturity model) to structure this attention [Oberkampf]. PCMM divides simulation into six core activities to be examined and graded relative to the needs of the modeling activity. NASA [NASA] has built yet another framework in response to the tragedy of the space shuttle accidents. Finally, Ben-Haim and Hemez focus upon modeling robustness and predictive fidelity in another approach. These frameworks are similar, and applied in a similar fashion. The adoption of these frameworks at Sandia and NASA has been slow and arduous because the force of law has not assisted acceptance. All existing frameworks are

Shape analysis of single and stacked InAs quantum dots at the atomic level by cross-sectional STM

NARCIS (Netherlands)

Bruls, D.M.; Vugs, J.W.A.M.; Koenraad, P.M.; Skolnick, M.S.; Hopkinson, M.; Wolter, J.H.; Miura, N.; Ando, T.

2001-01-01

We present a study of InAs self-assembled quantum dots in GaAs by cross-sectional scanning tunneling microscopy (X-STM). Our results shows that the dots consist of an JnGaAs alloy and that the indium content increases towards the top. The analysis of the height versus base length relation obtained

A qualitative evaluation approach for energy system modelling frameworks

DEFF Research Database (Denmark)

Wiese, Frauke; Hilpert, Simon; Kaldemeyer, Cord

2018-01-01

properties define how useful it is in regard to the existing challenges. For energy system models, evaluation methods exist, but we argue that many decisions upon properties are rather made on the model generator or framework level. Thus, this paper presents a qualitative approach to evaluate frameworks...

Identification of surface defects and subsurface dopants in a delta-doped system using simultaneous nc-AFM/STM and DFT

Czech Academy of Sciences Publication Activity Database

Spadafora, Evan; Berger, Jan; Mutombo, Pingo; Telychko, Mykola; Švec, Martin; Majzik, Zsolt; McLean, A.B.; Jelínek, Pavel

2014-01-01

Roč. 118, č. 29 (2014), s. 15744-15753 ISSN 1932-7447 R&D Projects: GA ČR(CZ) GA14-02079S Institutional support: RVO:68378271 Keywords : doping * subsurface defects * nc-AFM * STM * KPFM * DFT Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.772, year: 2014

Driver Performance Model: 1. Conceptual Framework

National Research Council Canada - National Science Library

Heimerl, Joseph

2001-01-01

...'. At the present time, no such comprehensive model exists. This report discusses a conceptual framework designed to encompass the relationships, conditions, and constraints related to direct, indirect, and remote modes of driving and thus provides a guide or 'road map' for the construction and creation of a comprehensive driver performance model.

A new recipe for preparing oxidized TiO2(1 1 0) surfaces: An STM study

Science.gov (United States)

Hansen, Jonas Ø.; Matthiesen, Jesper; Lira, Estephania; Lammich, Lutz; Wendt, Stefan

2017-12-01

Using high-resolution scanning tunneling microscopy (STM), we have studied the oxidation of rutile TiO2(1 1 0)-(1 × 1) surfaces with Had species at room temperature. We followed the evolution of various stable species as function of the O2 exposure, and the nature of the ultimately dominating species in the Ti troughs is described. When O2 saturation was accomplished using a glass-capillary array doser, we found that on-top O (Oot) adatoms are the predominant surface species. In contrast, when O2 was supplied via backfilling of the chamber the predominant surface species are tentatively assigned to terminal OH groups. We argue that unintended reactions with the chamber walls have a strong influence on the formed surface species, explaining scattered results in the literature. On the basis of our STM data we propose an alternative, easy way of preparing oxidized TiO2(1 1 0) surfaces with Oot adatoms (o-TiO2). It is certain that o-TiO2(1 1 0) surfaces prepared according to this recipe do not have any residual surface O vacancies. This contradicts the situation when oxidizing reduced TiO2(1 1 0) surfaces with O vacancies, where some O vacancies persist.

Inhomogeneous electronic structures in heavily Pb-doped Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} single crystals probed by low temperature STM/STS

Energy Technology Data Exchange (ETDEWEB)

Kinoda, Go; Nakao, Shoichiro; Motohashi, Teruki; Nakayama, Yuri; Shimizu, Keisuke; Shimoyama, Junichi; Kishio, Koji; Hanaguri, Tetsuo; Kitazawa, Koichi; Hasegawa, Tetsuya

2003-05-15

We have performed cryogenic scanning tunneling microscopy/spectroscopy (STM/STS) of heavily Pb-doped Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} single crystals to investigate local electronic structures in the overdoped regime. The obtained STM/STS results at 4.3 K clearly showed local inhomogeneity of gap structure {delta} ({delta}=20-60 meV) in a scale of several nm, suggesting the coexistence of superconducting and pseudogap-like regions, even in the overdoped regime.

Computer-aided modeling framework for efficient model development, analysis and identification

DEFF Research Database (Denmark)

Heitzig, Martina; Sin, Gürkan; Sales Cruz, Mauricio

2011-01-01

Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy, and water. This trend is set to continue due to the substantial benefits computer-aided...... methods introduce. The key prerequisite of computer-aided product-process engineering is however the availability of models of different types, forms, and application modes. The development of the models required for the systems under investigation tends to be a challenging and time-consuming task....... The methodology has been implemented into a computer-aided modeling framework, which combines expert skills, tools, and database connections that are required for the different steps of the model development work-flow with the goal to increase the efficiency of the modeling process. The framework has two main...

Diffusion of anthracene derivatives on Cu(111) studied by STM and DFT

Science.gov (United States)

Wyrick, Jonathan; Bartels, Ludwig; Einstein, Theodore

2014-03-01

Substituted anthracenes have drawn attention due to their ability to diffuse uniaxially on a Cu(111) surface. We compare anthracene to three of its derivatives whose 9,10 hydrogens are replaced by elements of the chalcogen group that act as linkers binding the molecules to a Cu(111) substrate. DFT calculations shed light on STM imaging and diffusion studies on the three substituted species. We present an analysis of the DFT results in which energetic contributions to the diffusion barriers are partitioned among the Kohn-Sham orbitals, allowing us to make assignments as to how each orbital affects diffusion for each species and draw comparisons between them. Present address: Center for Nanoscale Science and Technology, NIST, Gaithersburg, MD.

A useful framework for optimal replacement models

International Nuclear Information System (INIS)

Aven, Terje; Dekker, Rommert

1997-01-01

In this note we present a general framework for optimization of replacement times. It covers a number of models, including various age and block replacement models, and allows a uniform analysis for all these models. A relation to the marginal cost concept is described

A community-based framework for aquatic ecosystem models

DEFF Research Database (Denmark)

Trolle, Didde; Hamilton, D. P.; Hipsey, M. R.

2012-01-01

Here, we communicate a point of departure in the development of aquatic ecosystem models, namely a new community-based framework, which supports an enhanced and transparent union between the collective expertise that exists in the communities of traditional ecologists and model developers. Through...... a literature survey, we document the growing importance of numerical aquatic ecosystem models while also noting the difficulties, up until now, of the aquatic scientific community to make significant advances in these models during the past two decades. Through a common forum for aquatic ecosystem modellers we...... aim to (i) advance collaboration within the aquatic ecosystem modelling community, (ii) enable increased use of models for research, policy and ecosystem-based management, (iii) facilitate a collective framework using common (standardised) code to ensure that model development is incremental, (iv...

EarthCube - Earth System Bridge: Spanning Scientific Communities with Interoperable Modeling Frameworks

Science.gov (United States)

Peckham, S. D.; DeLuca, C.; Gochis, D. J.; Arrigo, J.; Kelbert, A.; Choi, E.; Dunlap, R.

2014-12-01

In order to better understand and predict environmental hazards of weather/climate, ecology and deep earth processes, geoscientists develop and use physics-based computational models. These models are used widely both in academic and federal communities. Because of the large effort required to develop and test models, there is widespread interest in component-based modeling, which promotes model reuse and simplified coupling to tackle problems that often cross discipline boundaries. In component-based modeling, the goal is to make relatively small changes to models that make it easy to reuse them as "plug-and-play" components. Sophisticated modeling frameworks exist to rapidly couple these components to create new composite models. They allow component models to exchange variables while accommodating different programming languages, computational grids, time-stepping schemes, variable names and units. Modeling frameworks have arisen in many modeling communities. CSDMS (Community Surface Dynamics Modeling System) serves the academic earth surface process dynamics community, while ESMF (Earth System Modeling Framework) serves many federal Earth system modeling projects. Others exist in both the academic and federal domains and each satisfies design criteria that are determined by the community they serve. While they may use different interface standards or semantic mediation strategies, they share fundamental similarities. The purpose of the Earth System Bridge project is to develop mechanisms for interoperability between modeling frameworks, such as the ability to share a model or service component. This project has three main goals: (1) Develop a Framework Description Language (ES-FDL) that allows modeling frameworks to be described in a standard way so that their differences and similarities can be assessed. (2) Demonstrate that if a model is augmented with a framework-agnostic Basic Model Interface (BMI), then simple, universal adapters can go from BMI to a

Electronic structure of the cuprate superconducting and pseudogap phases from spectroscopic imaging STM

Science.gov (United States)

Schmidt, A. R.; Fujita, K.; Kim, E.-A.; Lawler, M. J.; Eisaki, H.; Uchida, S.; Lee, D.-H.; Davis, J. C.

2011-06-01

We survey the use of spectroscopic imaging scanning tunneling microscopy (SI-STM) to probe the electronic structure of underdoped cuprates. Two distinct classes of electronic states are observed in both the d-wave superconducting (dSC) and the pseudogap (PG) phases. The first class consists of the dispersive Bogoliubov quasiparticle excitations of a homogeneous d-wave superconductor, existing below a lower energy scale E=Δ0. We find that the Bogoliubov quasiparticle interference (QPI) signatures of delocalized Cooper pairing are restricted to a k-space arc, which terminates near the lines connecting k=±(π/a0,0) to k=±(0,π/a0). This arc shrinks continuously with decreasing hole density such that Luttinger's theorem could be satisfied if it represents the front side of a hole-pocket that is bounded behind by the lines between k=±(π/a0,0) and k=±(0,π/a0). In both phases, the only broken symmetries detected for the |E|modulations, locally breaking both rotational and translational symmetries, coexist with this intra-unit-cell electronic symmetry breaking at E=Δ1. Their characteristic wavevector Q is determined by the k-space points where Bogoliubov QPI terminates and therefore changes continuously with doping. The distinct broken electronic symmetry states (intra-unit-cell and finite Q) coexisting at E~Δ1 are found to be indistinguishable in the dSC and PG phases. The next challenge for SI-STM studies is to determine the relationship of the E~Δ1 broken symmetry electronic states with the PG phase, and with the E<Δ0 states associated with Cooper pairing.

Prediction of hourly solar radiation with multi-model framework

International Nuclear Information System (INIS)

Wu, Ji; Chan, Chee Keong

2013-01-01

Highlights: • A novel approach to predict solar radiation through the use of clustering paradigms. • Development of prediction models based on the intrinsic pattern observed in each cluster. • Prediction based on proper clustering and selection of model on current time provides better results than other methods. • Experiments were conducted on actual solar radiation data obtained from a weather station in Singapore. - Abstract: In this paper, a novel multi-model prediction framework for prediction of solar radiation is proposed. The framework started with the assumption that there are several patterns embedded in the solar radiation series. To extract the underlying pattern, the solar radiation series is first segmented into smaller subsequences, and the subsequences are further grouped into different clusters. For each cluster, an appropriate prediction model is trained. Hence a procedure for pattern identification is developed to identify the proper pattern that fits the current period. Based on this pattern, the corresponding prediction model is applied to obtain the prediction value. The prediction result of the proposed framework is then compared to other techniques. It is shown that the proposed framework provides superior performance as compared to others

Fabrication and in-situ STM investigation of growth dynamics of semiconductor nanostructures grown by MBE

International Nuclear Information System (INIS)

Borisova, Svetlana

2012-01-01

Modern development of information technologies requires an introduction of new fundamental concepts, in order to create more efficient devices and to decrease their size. One of the most promising ways is to increase the functionality of silicon by integrating novel materials into Si-based production. This PhD thesis reports on the fabrication and investigation of the growth of semiconductor nanostructures on Si substrates by molecular beam epitaxy (MBE). In-situ scanning tunneling microscopy (STM) is a powerful technique in order to study morphological and electronic properties of the grown structures directly under ultra high vacuum (UHV) conditions. It is shown that the combination of MBE and in-situ STM enables the study of nucleation and growth dynamics at the atomic scale. It provides us with numerous information concerning the nucleation mechanism, the growth mode of the structures, adatom kinetics, influence of the lattice mismatch between the substrate and the grown structure as well as formation and morphology of crystal defects. The first part of the thesis focuses on the experimental realization based upon an existing setup. The construction of an in-situ UHV STM compatible with the MBE cluster and the technical improvement of the STM setup are described. Subsequently, test measurements are performed on the technologically most important surfaces, Ge (100) and Si (111). The second part of the thesis is dedicated to ordered small-period arrays of self-assembled Ge quantum dots (QDs) grown on pre-patterned Si (100) substrates. Small-period Ge QD crystals are highly interesting since band structure calculations indicate coupled electronic states of the QDs in the case of the small lateral period of approximately 30 nm. Small-period hole patterns with a period of 56 nm are fabricated by e-beam lithography on Si substrates. The evolution of the hole morphology during the in-situ pre-growth annealing and the Si buffer layer growth are studied. Deposition of 5

Fabrication and in-situ STM investigation of growth dynamics of semiconductor nanostructures grown by MBE

Energy Technology Data Exchange (ETDEWEB)

Borisova, Svetlana

2012-05-23

Modern development of information technologies requires an introduction of new fundamental concepts, in order to create more efficient devices and to decrease their size. One of the most promising ways is to increase the functionality of silicon by integrating novel materials into Si-based production. This PhD thesis reports on the fabrication and investigation of the growth of semiconductor nanostructures on Si substrates by molecular beam epitaxy (MBE). In-situ scanning tunneling microscopy (STM) is a powerful technique in order to study morphological and electronic properties of the grown structures directly under ultra high vacuum (UHV) conditions. It is shown that the combination of MBE and in-situ STM enables the study of nucleation and growth dynamics at the atomic scale. It provides us with numerous information concerning the nucleation mechanism, the growth mode of the structures, adatom kinetics, influence of the lattice mismatch between the substrate and the grown structure as well as formation and morphology of crystal defects. The first part of the thesis focuses on the experimental realization based upon an existing setup. The construction of an in-situ UHV STM compatible with the MBE cluster and the technical improvement of the STM setup are described. Subsequently, test measurements are performed on the technologically most important surfaces, Ge (100) and Si (111). The second part of the thesis is dedicated to ordered small-period arrays of self-assembled Ge quantum dots (QDs) grown on pre-patterned Si (100) substrates. Small-period Ge QD crystals are highly interesting since band structure calculations indicate coupled electronic states of the QDs in the case of the small lateral period of approximately 30 nm. Small-period hole patterns with a period of 56 nm are fabricated by e-beam lithography on Si substrates. The evolution of the hole morphology during the in-situ pre-growth annealing and the Si buffer layer growth are studied. Deposition of 5

Theory of high-resolution tunneling spin transport on a magnetic skyrmion

OpenAIRE

Palotás, Krisztián; Rózsa, Levente; Szunyogh, László

2018-01-01

Tunneling spin transport characteristics of a magnetic skyrmion are described theoretically in magnetic scanning tunneling microscopy (STM). The spin-polarized charge current in STM (SP-STM) and tunneling spin transport vector quantities, the longitudinal spin current and the spin transfer torque are calculated in high spatial resolution within the same theoretical framework. A connection between the conventional charge current SP-STM image contrasts and the magnitudes of the spin transport v...

Modeling framework for crew decisions during accident sequences

International Nuclear Information System (INIS)

Lukic, Y.D.; Worledge, D.H.; Hannaman, G.W.; Spurgin, A.J.

1986-01-01

The ability to model the average behavior of operating crews in the course of accident sequences is vital in learning on how to prevent damage to power plants and to maintain safety. This paper summarizes the work carried out in support of a Human Reliability Model framework. This work develops the mathematical framework of the model and identifies the parameters which could be measured in some way, e.g., through simulator experience and/or small scale tests. Selected illustrative examples are presented, of the numerical experiments carried out in order to understand the model sensitivity to parameter variation. These examples ar discussed with the objective of deriving insights of general nature regarding operating of the model which may lead to enhanced understanding of man/machine interactions

Talking Cure Models: A Framework of Analysis

Directory of Open Access Journals (Sweden)

Christopher Marx

2017-09-01

Full Text Available Psychotherapy is commonly described as a “talking cure,” a treatment method that operates through linguistic action and interaction. The operative specifics of therapeutic language use, however, are insufficiently understood, mainly due to a multitude of disparate approaches that advance different notions of what “talking” means and what “cure” implies in the respective context. Accordingly, a clarification of the basic theoretical structure of “talking cure models,” i.e., models that describe therapeutic processes with a focus on language use, is a desideratum of language-oriented psychotherapy research. Against this background the present paper suggests a theoretical framework of analysis which distinguishes four basic components of “talking cure models”: (1 a foundational theory (which suggests how linguistic activity can affect and transform human experience, (2 an experiential problem state (which defines the problem or pathology of the patient, (3 a curative linguistic activity (which defines linguistic activities that are supposed to effectuate a curative transformation of the experiential problem state, and (4 a change mechanism (which defines the processes and effects involved in such transformations. The purpose of the framework is to establish a terminological foundation that allows for systematically reconstructing basic properties and operative mechanisms of “talking cure models.” To demonstrate the applicability and utility of the framework, five distinct “talking cure models” which spell out the details of curative “talking” processes in terms of (1 catharsis, (2 symbolization, (3 narrative, (4 metaphor, and (5 neurocognitive inhibition are introduced and discussed in terms of the framework components. In summary, we hope that our framework will prove useful for the objective of clarifying the theoretical underpinnings of language-oriented psychotherapy research and help to establish a more

A Framework for Understanding Physics Students' Computational Modeling Practices

Science.gov (United States)

Lunk, Brandon Robert

With the growing push to include computational modeling in the physics classroom, we are faced with the need to better understand students' computational modeling practices. While existing research on programming comprehension explores how novices and experts generate programming algorithms, little of this discusses how domain content knowledge, and physics knowledge in particular, can influence students' programming practices. In an effort to better understand this issue, I have developed a framework for modeling these practices based on a resource stance towards student knowledge. A resource framework models knowledge as the activation of vast networks of elements called "resources." Much like neurons in the brain, resources that become active can trigger cascading events of activation throughout the broader network. This model emphasizes the connectivity between knowledge elements and provides a description of students' knowledge base. Together with resources resources, the concepts of "epistemic games" and "frames" provide a means for addressing the interaction between content knowledge and practices. Although this framework has generally been limited to describing conceptual and mathematical understanding, it also provides a means for addressing students' programming practices. In this dissertation, I will demonstrate this facet of a resource framework as well as fill in an important missing piece: a set of epistemic games that can describe students' computational modeling strategies. The development of this theoretical framework emerged from the analysis of video data of students generating computational models during the laboratory component of a Matter & Interactions: Modern Mechanics course. Student participants across two semesters were recorded as they worked in groups to fix pre-written computational models that were initially missing key lines of code. Analysis of this video data showed that the students' programming practices were highly influenced by

A general modeling framework for describing spatially structured population dynamics

Science.gov (United States)

Sample, Christine; Fryxell, John; Bieri, Joanna; Federico, Paula; Earl, Julia; Wiederholt, Ruscena; Mattsson, Brady; Flockhart, Tyler; Nicol, Sam; Diffendorfer, James E.; Thogmartin, Wayne E.; Erickson, Richard A.; Norris, D. Ryan

2017-01-01

Variation in movement across time and space fundamentally shapes the abundance and distribution of populations. Although a variety of approaches model structured population dynamics, they are limited to specific types of spatially structured populations and lack a unifying framework. Here, we propose a unified network-based framework sufficiently novel in its flexibility to capture a wide variety of spatiotemporal processes including metapopulations and a range of migratory patterns. It can accommodate different kinds of age structures, forms of population growth, dispersal, nomadism and migration, and alternative life-history strategies. Our objective was to link three general elements common to all spatially structured populations (space, time and movement) under a single mathematical framework. To do this, we adopt a network modeling approach. The spatial structure of a population is represented by a weighted and directed network. Each node and each edge has a set of attributes which vary through time. The dynamics of our network-based population is modeled with discrete time steps. Using both theoretical and real-world examples, we show how common elements recur across species with disparate movement strategies and how they can be combined under a unified mathematical framework. We illustrate how metapopulations, various migratory patterns, and nomadism can be represented with this modeling approach. We also apply our network-based framework to four organisms spanning a wide range of life histories, movement patterns, and carrying capacities. General computer code to implement our framework is provided, which can be applied to almost any spatially structured population. This framework contributes to our theoretical understanding of population dynamics and has practical management applications, including understanding the impact of perturbations on population size, distribution, and movement patterns. By working within a common framework, there is less chance

A system-level multiprocessor system-on-chip modeling framework

DEFF Research Database (Denmark)

Virk, Kashif Munir; Madsen, Jan

2004-01-01

We present a system-level modeling framework to model system-on-chips (SoC) consisting of heterogeneous multiprocessors and network-on-chip communication structures in order to enable the developers of today's SoC designs to take advantage of the flexibility and scalability of network-on-chip and...... SoC design. We show how a hand-held multimedia terminal, consisting of JPEG, MP3 and GSM applications, can be modeled as a multiprocessor SoC in our framework....

Single Crystal Synthesis and STM Studies of High Temperature Superconductors

Science.gov (United States)

Barrientos, Alfonso

1997-01-01

This is a final report for the work initiated in September of 1994 under the grant NAG8-1085 - NASA/OMU, on the fabrication of bulk and single crystal synthesis, specific heat measuring and STM studies of high temperature superconductors. Efforts were made to fabricate bulk and single crystals of mercury based superconducting material. A systematic thermal analysis on the precursors for the corresponding oxides and carbonates were carried out to synthesized bulk samples. Bulk material was used as seed in an attempt to grow single crystals by a two-step self flux process. On the other hand bulk samples were characterized by x-ray diffraction, electrical resistivity and magnetic susceptibility, We studied the specific heat behavior in the range from 80 to 300 K. Some preliminary attempts were made to study the atomic morphology of our samples. As part of our efforts we built an ac susceptibility apparatus for measuring the transition temperature of our sintered samples.

A penalized framework for distributed lag non-linear models.

Science.gov (United States)

Gasparrini, Antonio; Scheipl, Fabian; Armstrong, Ben; Kenward, Michael G

2017-09-01

Distributed lag non-linear models (DLNMs) are a modelling tool for describing potentially non-linear and delayed dependencies. Here, we illustrate an extension of the DLNM framework through the use of penalized splines within generalized additive models (GAM). This extension offers built-in model selection procedures and the possibility of accommodating assumptions on the shape of the lag structure through specific penalties. In addition, this framework includes, as special cases, simpler models previously proposed for linear relationships (DLMs). Alternative versions of penalized DLNMs are compared with each other and with the standard unpenalized version in a simulation study. Results show that this penalized extension to the DLNM class provides greater flexibility and improved inferential properties. The framework exploits recent theoretical developments of GAMs and is implemented using efficient routines within freely available software. Real-data applications are illustrated through two reproducible examples in time series and survival analysis. © 2017 The Authors Biometrics published by Wiley Periodicals, Inc. on behalf of International Biometric Society.

Modeling of ultrasonic processes utilizing a generic software framework

Science.gov (United States)

Bruns, P.; Twiefel, J.; Wallaschek, J.

2017-06-01

Modeling of ultrasonic processes is typically characterized by a high degree of complexity. Different domains and size scales must be regarded, so that it is rather difficult to build up a single detailed overall model. Developing partial models is a common approach to overcome this difficulty. In this paper a generic but simple software framework is presented which allows to coupe arbitrary partial models by slave modules with well-defined interfaces and a master module for coordination. Two examples are given to present the developed framework. The first one is the parameterization of a load model for ultrasonically-induced cavitation. The piezoelectric oscillator, its mounting, and the process load are described individually by partial models. These partial models then are coupled using the framework. The load model is composed of spring-damper-elements which are parameterized by experimental results. In the second example, the ideal mounting position for an oscillator utilized in ultrasonic assisted machining of stone is determined. Partial models for the ultrasonic oscillator, its mounting, the simplified contact process, and the workpiece’s material characteristics are presented. For both applications input and output variables are defined to meet the requirements of the framework’s interface.

LAMMPS Framework for Dynamic Bonding and an Application Modeling DNA

DEFF Research Database (Denmark)

Svaneborg, Carsten

2012-01-01

and bond types. When breaking bonds, all angular and dihedral interactions involving broken bonds are removed. The framework allows chemical reactions to be modeled, and use it to simulate a simplistic, coarse-grained DNA model. The resulting DNA dynamics illustrates the power of the present framework....

The development of a sustainable development model framework

International Nuclear Information System (INIS)

Hannoura, Alim P.; Cothren, Gianna M.; Khairy, Wael M.

2006-01-01

The emergence of the 'sustainable development' concept as a response to the mining of natural resources for the benefit of multinational corporations has advanced the cause of long-term environmental management. A sustainable development model (SDM) framework that is inclusive of the 'whole' natural environment is presented to illustrate the integration of the sustainable development of the 'whole' ecosystem. The ecosystem approach is an inclusive framework that covers the natural environment relevant futures and constraints. These are dynamically interconnected and constitute the determinates of resources development component of the SDM. The second component of the SDM framework is the resources development patterns, i.e., the use of land, water, and atmospheric resources. All of these patterns include practices that utilize environmental resources to achieve a predefined outcome producing waste and by-products that require disposal into the environment. The water quality management practices represent the third component of the framework. These practices are governed by standards, limitations and available disposal means subject to quantity and quality permits. These interconnected standards, practices and permits shape the resulting environmental quality of the ecosystem under consideration. A fourth component, environmental indicators, of the SDM framework provides a measure of the ecosystem productivity and status that may differ based on societal values and culture. The four components of the SDM are interwoven into an outcome assessment process to form the management and feedback models. The concept of Sustainable Development is expressed in the management model as an objective function subject to desired constraints imposing the required bounds for achieving ecosystem sustainability. The development of the objective function and constrains requires monetary values for ecosystem functions, resources development activities and environmental cost. The

A general framework for modeling growth and division of mammalian cells.

Science.gov (United States)

Gauthier, John H; Pohl, Phillip I

2011-01-06

Modeling the cell-division cycle has been practiced for many years. As time has progressed, this work has gone from understanding the basic principles to addressing distinct biological problems, e.g., the nature of the restriction point, how checkpoints operate, the nonlinear dynamics of the cell cycle, the effect of localization, etc. Most models consist of coupled ordinary differential equations developed by the researchers, restricted to deal with the interactions of a limited number of molecules. In the future, cell-cycle modeling--and indeed all modeling of complex biologic processes--will increase in scope and detail. A framework for modeling complex cell-biologic processes is proposed here. The framework is based on two constructs: one describing the entire lifecycle of a molecule and the second describing the basic cellular machinery. Use of these constructs allows complex models to be built in a straightforward manner that fosters rigor and completeness. To demonstrate the framework, an example model of the mammalian cell cycle is presented that consists of several hundred differential equations of simple mass action kinetics. The model calculates energy usage, amino acid and nucleotide usage, membrane transport, RNA synthesis and destruction, and protein synthesis and destruction for 33 proteins to give an in-depth look at the cell cycle. The framework presented here addresses how to develop increasingly descriptive models of complex cell-biologic processes. The example model of cellular growth and division constructed with the framework demonstrates that large structured models can be created with the framework, and these models can generate non-trivial descriptions of cellular processes. Predictions from the example model include those at both the molecular level--e.g., Wee1 spontaneously reactivates--and at the system level--e.g., pathways for timing-critical processes must shut down redundant pathways. A future effort is to automatically estimate

Tools for Resilience Management: Multidisciplinary Development of State-and-Transition Models for Northwest Colorado

Directory of Open Access Journals (Sweden)

Emily J. Kachergis

2013-12-01

Full Text Available Building models is an important way of integrating knowledge. Testing and updating models of social-ecological systems can inform management decisions and, ultimately, improve resilience. We report on the outcomes of a six-year, multidisciplinary model development process in the sagebrush steppe, USA. We focused on creating state-and-transition models (STMs, conceptual models of ecosystem change that represent nonlinear dynamics and are being adopted worldwide as tools for managing ecosystems. STM development occurred in four steps with four distinct sets of models: (1 local knowledge elicitation using semistructured interviews; (2 ecological data collection using an observational study; (3 model integration using participatory workshops; and (4 model simplification upon review of the literature by a multidisciplinary team. We found that different knowledge types are ultimately complementary. Many of the benefits of the STM-building process flowed from the knowledge integration steps, including improved communication, identification of uncertainties, and production of more broadly credible STMs that can be applied in diverse situations. The STM development process also generated hypotheses about sagebrush steppe dynamics that could be tested by future adaptive management and research. We conclude that multidisciplinary development of STMs has great potential for producing credible, useful tools for managing resilience of social-ecological systems. Based on this experience, we outline a streamlined, participatory STM development process that integrates multiple types of knowledge and incorporates adaptive management.

A framework for benchmarking land models

Directory of Open Access Journals (Sweden)

Y. Q. Luo

2012-10-01

Full Text Available Land models, which have been developed by the modeling community in the past few decades to predict future states of ecosystems and climate, have to be critically evaluated for their performance skills of simulating ecosystem responses and feedback to climate change. Benchmarking is an emerging procedure to measure performance of models against a set of defined standards. This paper proposes a benchmarking framework for evaluation of land model performances and, meanwhile, highlights major challenges at this infant stage of benchmark analysis. The framework includes (1 targeted aspects of model performance to be evaluated, (2 a set of benchmarks as defined references to test model performance, (3 metrics to measure and compare performance skills among models so as to identify model strengths and deficiencies, and (4 model improvement. Land models are required to simulate exchange of water, energy, carbon and sometimes other trace gases between the atmosphere and land surface, and should be evaluated for their simulations of biophysical processes, biogeochemical cycles, and vegetation dynamics in response to climate change across broad temporal and spatial scales. Thus, one major challenge is to select and define a limited number of benchmarks to effectively evaluate land model performance. The second challenge is to develop metrics of measuring mismatches between models and benchmarks. The metrics may include (1 a priori thresholds of acceptable model performance and (2 a scoring system to combine data–model mismatches for various processes at different temporal and spatial scales. The benchmark analyses should identify clues of weak model performance to guide future development, thus enabling improved predictions of future states of ecosystems and climate. The near-future research effort should be on development of a set of widely acceptable benchmarks that can be used to objectively, effectively, and reliably evaluate fundamental properties

A conceptual framework for measuring airline business model convergence

OpenAIRE

Daft, Jost; Albers, Sascha

2012-01-01

This paper develops a measurement framework that synthesizes the airline and strategy literature to identify relevant dimensions and elements of airline business models. The applicability of this framework for describing airline strategies and structures and, based on this conceptualization, for assessing the potential convergence of airline business models over time is then illustrated using a small sample of five German passenger airlines. For this sample, the perception of a rapprochement ...

Spatial Modeling for Resources Framework (SMRF)

Science.gov (United States)

Spatial Modeling for Resources Framework (SMRF) was developed by Dr. Scott Havens at the USDA Agricultural Research Service (ARS) in Boise, ID. SMRF was designed to increase the flexibility of taking measured weather data and distributing the point measurements across a watershed. SMRF was developed...

A Model-Driven Framework to Develop Personalized Health Monitoring

Directory of Open Access Journals (Sweden)

Algimantas Venčkauskas

2016-07-01

Full Text Available Both distributed healthcare systems and the Internet of Things (IoT are currently hot topics. The latter is a new computing paradigm to enable advanced capabilities in engineering various applications, including those for healthcare. For such systems, the core social requirement is the privacy/security of the patient information along with the technical requirements (e.g., energy consumption and capabilities for adaptability and personalization. Typically, the functionality of the systems is predefined by the patient’s data collected using sensor networks along with medical instrumentation; then, the data is transferred through the Internet for treatment and decision-making. Therefore, systems creation is indeed challenging. In this paper, we propose a model-driven framework to develop the IoT-based prototype and its reference architecture for personalized health monitoring (PHM applications. The framework contains a multi-layered structure with feature-based modeling and feature model transformations at the top and the application software generation at the bottom. We have validated the framework using available tools and developed an experimental PHM to test some aspects of the functionality of the reference architecture in real time. The main contribution of the paper is the development of the model-driven computational framework with emphasis on the synergistic effect of security and energy issues.

Models of Recognition, Repetition Priming, and Fluency : Exploring a New Framework

Science.gov (United States)

Berry, Christopher J.; Shanks, David R.; Speekenbrink, Maarten; Henson, Richard N. A.

2012-01-01

We present a new modeling framework for recognition memory and repetition priming based on signal detection theory. We use this framework to specify and test the predictions of 4 models: (a) a single-system (SS) model, in which one continuous memory signal drives recognition and priming; (b) a multiple-systems-1 (MS1) model, in which completely…

Graphical Model Debugger Framework for Embedded Systems

DEFF Research Database (Denmark)

Zeng, Kebin

2010-01-01

Model Driven Software Development has offered a faster way to design and implement embedded real-time software by moving the design to a model level, and by transforming models to code. However, the testing of embedded systems has remained at the code level. This paper presents a Graphical Model...... Debugger Framework, providing an auxiliary avenue of analysis of system models at runtime by executing generated code and updating models synchronously, which allows embedded developers to focus on the model level. With the model debugger, embedded developers can graphically test their design model...

Knowledge Extraction from Atomically Resolved Images.

Science.gov (United States)

Vlcek, Lukas; Maksov, Artem; Pan, Minghu; Vasudevan, Rama K; Kalinin, Sergei V

2017-10-24

Tremendous strides in experimental capabilities of scanning transmission electron microscopy and scanning tunneling microscopy (STM) over the past 30 years made atomically resolved imaging routine. However, consistent integration and use of atomically resolved data with generative models is unavailable, so information on local thermodynamics and other microscopic driving forces encoded in the observed atomic configurations remains hidden. Here, we present a framework based on statistical distance minimization to consistently utilize the information available from atomic configurations obtained from an atomically resolved image and extract meaningful physical interaction parameters. We illustrate the applicability of the framework on an STM image of a FeSe x Te 1-x superconductor, with the segregation of the chalcogen atoms investigated using a nonideal interacting solid solution model. This universal method makes full use of the microscopic degrees of freedom sampled in an atomically resolved image and can be extended via Bayesian inference toward unbiased model selection with uncertainty quantification.

A Stochastic Framework for Modeling the Population Dynamics of Convective Clouds

Science.gov (United States)

Hagos, Samson; Feng, Zhe; Plant, Robert S.; Houze, Robert A.; Xiao, Heng

2018-02-01

A stochastic prognostic framework for modeling the population dynamics of convective clouds and representing them in climate models is proposed. The framework follows the nonequilibrium statistical mechanical approach to constructing a master equation for representing the evolution of the number of convective cells of a specific size and their associated cloud-base mass flux, given a large-scale forcing. In this framework, referred to as STOchastic framework for Modeling Population dynamics of convective clouds (STOMP), the evolution of convective cell size is predicted from three key characteristics of convective cells: (i) the probability of growth, (ii) the probability of decay, and (iii) the cloud-base mass flux. STOMP models are constructed and evaluated against CPOL radar observations at Darwin and convection permitting model (CPM) simulations. Multiple models are constructed under various assumptions regarding these three key parameters and the realisms of these models are evaluated. It is shown that in a model where convective plumes prefer to aggregate spatially and the cloud-base mass flux is a nonlinear function of convective cell area, the mass flux manifests a recharge-discharge behavior under steady forcing. Such a model also produces observed behavior of convective cell populations and CPM simulated cloud-base mass flux variability under diurnally varying forcing. In addition to its use in developing understanding of convection processes and the controls on convective cell size distributions, this modeling framework is also designed to serve as a nonequilibrium closure formulations for spectral mass flux parameterizations.

A proposed best practice model validation framework for banks

Directory of Open Access Journals (Sweden)

Pieter J. (Riaan de Jongh

2017-06-01

Full Text Available Background: With the increasing use of complex quantitative models in applications throughout the financial world, model risk has become a major concern. The credit crisis of 2008–2009 provoked added concern about the use of models in finance. Measuring and managing model risk has subsequently come under scrutiny from regulators, supervisors, banks and other financial institutions. Regulatory guidance indicates that meticulous monitoring of all phases of model development and implementation is required to mitigate this risk. Considerable resources must be mobilised for this purpose. The exercise must embrace model development, assembly, implementation, validation and effective governance. Setting: Model validation practices are generally patchy, disparate and sometimes contradictory, and although the Basel Accord and some regulatory authorities have attempted to establish guiding principles, no definite set of global standards exists. Aim: Assessing the available literature for the best validation practices. Methods: This comprehensive literature study provided a background to the complexities of effective model management and focussed on model validation as a component of model risk management. Results: We propose a coherent ‘best practice’ framework for model validation. Scorecard tools are also presented to evaluate if the proposed best practice model validation framework has been adequately assembled and implemented. Conclusion: The proposed best practice model validation framework is designed to assist firms in the construction of an effective, robust and fully compliant model validation programme and comprises three principal elements: model validation governance, policy and process.

A Framework for Uplink Intercell Interference Modeling with Channel-Based Scheduling

KAUST Repository

Tabassum, Hina; Yilmaz, Ferkan; Dawy, Zaher; Alouini, Mohamed-Slim

2012-01-01

This paper presents a novel framework for modeling the uplink intercell interference(ICI) in a multiuser cellular network. The proposed framework assists in quantifying the impact of various fading channel models and state-of-the-art scheduling

A new fit-for-purpose model testing framework: Decision Crash Tests

Science.gov (United States)

Tolson, Bryan; Craig, James

2016-04-01

Decision-makers in water resources are often burdened with selecting appropriate multi-million dollar strategies to mitigate the impacts of climate or land use change. Unfortunately, the suitability of existing hydrologic simulation models to accurately inform decision-making is in doubt because the testing procedures used to evaluate model utility (i.e., model validation) are insufficient. For example, many authors have identified that a good standard framework for model testing called the Klemes Crash Tests (KCTs), which are the classic model validation procedures from Klemeš (1986) that Andréassian et al. (2009) rename as KCTs, have yet to become common practice in hydrology. Furthermore, Andréassian et al. (2009) claim that the progression of hydrological science requires widespread use of KCT and the development of new crash tests. Existing simulation (not forecasting) model testing procedures such as KCTs look backwards (checking for consistency between simulations and past observations) rather than forwards (explicitly assessing if the model is likely to support future decisions). We propose a fundamentally different, forward-looking, decision-oriented hydrologic model testing framework based upon the concept of fit-for-purpose model testing that we call Decision Crash Tests or DCTs. Key DCT elements are i) the model purpose (i.e., decision the model is meant to support) must be identified so that model outputs can be mapped to management decisions ii) the framework evaluates not just the selected hydrologic model but the entire suite of model-building decisions associated with model discretization, calibration etc. The framework is constructed to directly and quantitatively evaluate model suitability. The DCT framework is applied to a model building case study on the Grand River in Ontario, Canada. A hypothetical binary decision scenario is analysed (upgrade or not upgrade the existing flood control structure) under two different sets of model building

Conceptual Modeling Framework for E-Area PA HELP Infiltration Model Simulations

Energy Technology Data Exchange (ETDEWEB)

Dyer, J. A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2017-11-30

A conceptual modeling framework based on the proposed E-Area Low-Level Waste Facility (LLWF) closure cap design is presented for conducting Hydrologic Evaluation of Landfill Performance (HELP) model simulations of intact and subsided cap infiltration scenarios for the next E-Area Performance Assessment (PA).

An Ontology-Based Framework for Modeling User Behavior

DEFF Research Database (Denmark)

Razmerita, Liana

2011-01-01

and classifies its users according to their behavior. The user ontology is the backbone of OntobUMf and has been designed according to the Information Management System Learning Information Package (IMS LIP). The user ontology includes a Behavior concept that extends IMS LIP specification and defines...... characteristics of the users interacting with the system. Concrete examples of how OntobUMf is used in the context of a Knowledge Management (KM) System are provided. This paper discusses some of the implications of ontology-based user modeling for semantically enhanced KM and, in particular, for personal KM....... The results of this research may contribute to the development of other frameworks for modeling user behavior, other semantically enhanced user modeling frameworks, or other semantically enhanced information systems....

Airline Sustainability Modeling: A New Framework with Application of Bayesian Structural Equation Modeling

Directory of Open Access Journals (Sweden)

Hashem Salarzadeh Jenatabadi

2016-11-01

Full Text Available There are many factors which could influence the sustainability of airlines. The main purpose of this study is to introduce a framework for a financial sustainability index and model it based on structural equation modeling (SEM with maximum likelihood and Bayesian predictors. The introduced framework includes economic performance, operational performance, cost performance, and financial performance. Based on both Bayesian SEM (Bayesian-SEM and Classical SEM (Classical-SEM, it was found that economic performance with both operational performance and cost performance are significantly related to the financial performance index. The four mathematical indices employed are root mean square error, coefficient of determination, mean absolute error, and mean absolute percentage error to compare the efficiency of Bayesian-SEM and Classical-SEM in predicting the airline financial performance. The outputs confirmed that the framework with Bayesian prediction delivered a good fit with the data, although the framework predicted with a Classical-SEM approach did not prepare a well-fitting model. The reasons for this discrepancy between Classical and Bayesian predictions, as well as the potential advantages and caveats with the application of Bayesian approach in airline sustainability studies, are debated.

Self-assembled organic radicals on Au(111) surfaces: a combined ToF-SIMS, STM, and ESR study.

Science.gov (United States)

Mannini, Matteo; Sorace, Lorenzo; Gorini, Lapo; Piras, Federica M; Caneschi, Andrea; Magnani, Agnese; Menichetti, Stefano; Gatteschi, Dante

2007-02-27

Electron spin resonance (ESR), time-of-flight secondary ion mass spectrometry (ToF-SIMS), and scanning tunneling microscopy (STM) have been used in parallel to characterize the deposition on gold surface of a series of nitronyl nitroxide radicals. These compounds have been specifically synthesized with methyl-thio linking groups suitable to interact with the gold surface to form self-assembled monolayers (SAMs), which can be considered relevant in the research for molecular-based spintronics devices, as suggested in recent papers. The degree of the expected ordering on the surface of these SAMs has been tuned by varying the chemical structure of synthesized radicals. ToF-SIMS has been used to support the evidence of the occurrence of the deposition process. STM has shown the different qualities of the obtained SAMs, with the degree of local order increasing as the degree of freedom of the molecules on the surface is decreased. Finally, ESR has confirmed that the deposition process does not affect the paramagnetic characteristics of radicals and that it affords a complete single-layered coverage of the surface. Further, the absence of angular dependence in the spectra indicates that the small regions of local ordering do not give rise to a long-range order and suggests a quite large mobility of the radical on the surface, probably due to the weak interaction with gold provided by the methyl-thio linking group.

A Hybrid Programming Framework for Modeling and Solving Constraint Satisfaction and Optimization Problems

Directory of Open Access Journals (Sweden)

Paweł Sitek

2016-01-01

Full Text Available This paper proposes a hybrid programming framework for modeling and solving of constraint satisfaction problems (CSPs and constraint optimization problems (COPs. Two paradigms, CLP (constraint logic programming and MP (mathematical programming, are integrated in the framework. The integration is supplemented with the original method of problem transformation, used in the framework as a presolving method. The transformation substantially reduces the feasible solution space. The framework automatically generates CSP and COP models based on current values of data instances, questions asked by a user, and set of predicates and facts of the problem being modeled, which altogether constitute a knowledge database for the given problem. This dynamic generation of dedicated models, based on the knowledge base, together with the parameters changing externally, for example, the user’s questions, is the implementation of the autonomous search concept. The models are solved using the internal or external solvers integrated with the framework. The architecture of the framework as well as its implementation outline is also included in the paper. The effectiveness of the framework regarding the modeling and solution search is assessed through the illustrative examples relating to scheduling problems with additional constrained resources.

A software engineering perspective on environmental modeling framework design: The object modeling system

Science.gov (United States)

The environmental modeling community has historically been concerned with the proliferation of models and the effort associated with collective model development tasks (e.g., code generation, data provisioning and transformation, etc.). Environmental modeling frameworks (EMFs) have been developed to...

Designing the Distributed Model Integration Framework – DMIF

NARCIS (Netherlands)

Belete, Getachew F.; Voinov, Alexey; Morales, Javier

2017-01-01

We describe and discuss the design and prototype of the Distributed Model Integration Framework (DMIF) that links models deployed on different hardware and software platforms. We used distributed computing and service-oriented development approaches to address the different aspects of

Integrating knowledge seeking into knowledge management models and frameworks

Directory of Open Access Journals (Sweden)

Francois Lottering

2012-09-01

Objectives: This article investigates the theoretical status of the knowledge-seeking process in extant KM models and frameworks. It also statistically describes knowledge seeking and knowledge sharing practices in a sample of South African companies. Using this data, it proposes a KM model based on knowledge seeking. Method: Knowledge seeking is traced in a number of KM models and frameworks with a specific focus on Han Lai and Margaret Graham’s adapted KM cycle model, which separates knowledge seeking from knowledge sharing. This empirical investigation used a questionnaire to examine knowledge seeking and knowledge sharing practices in a sample of South African companies. Results: This article critiqued and elaborated on the adapted KM cycle model of Lai and Graham. It identified some of the key features of knowledge seeking practices in the workplace. It showed that knowledge seeking and sharing are human-centric actions and that seeking knowledge uses trust and loyalty as its basis. It also showed that one cannot separate knowledge seeking from knowledge sharing. Conclusion: The knowledge seeking-based KM model elaborates on Lai and Graham’s model. It provides insight into how and where people seek and share knowledge in the workplace. The article concludes that it is necessary to cement the place of knowledge seeking in KM models as well as frameworks and suggests that organisations should apply its findings to improving their knowledge management strategies.

Retrofitting Non-Cognitive-Diagnostic Reading Assessment under the Generalized DINA Model Framework

Science.gov (United States)

Chen, Huilin; Chen, Jinsong

2016-01-01

Cognitive diagnosis models (CDMs) are psychometric models developed mainly to assess examinees' specific strengths and weaknesses in a set of skills or attributes within a domain. By adopting the Generalized-DINA model framework, the recently developed general modeling framework, we attempted to retrofit the PISA reading assessments, a…

Surface morphology and in-plane-epitaxy of SmBa2Cu3O7-δ films on SrTiO3 (001) substrates studied by STM and grazing incidence x-ray diffraction

DEFF Research Database (Denmark)

Jiang, Q.D.; Smilgies, D.M.; Feidenhans'l, R.

1996-01-01

The surface morphology and in-plane epitaxy of thin films of SmBa(2)Cu3O(7-delta) (Sm-BCO) grown on SrTiO3 (001) substrates with various thicknesses have been investigated by scanning tunneling microscopy (STM) and grazing incidence x-ray diffraction (GIXRD). As revealed by GIXRD, SmBCO films as ...... films above h(c2), introduction of screw dislocations leads to spiral growth.......The surface morphology and in-plane epitaxy of thin films of SmBa(2)Cu3O(7-delta) (Sm-BCO) grown on SrTiO3 (001) substrates with various thicknesses have been investigated by scanning tunneling microscopy (STM) and grazing incidence x-ray diffraction (GIXRD). As revealed by GIXRD, SmBCO films...... substrate. Three different types of surface morphology were observed by STM with increasing film thickness h: a) 2D growth for hh(c2). With GIXRD, a density modulation is observed in the films with a thickness below h(c2). For thicker...

The SCEC Unified Community Velocity Model (UCVM) Software Framework for Distributing and Querying Seismic Velocity Models

Science.gov (United States)

Maechling, P. J.; Taborda, R.; Callaghan, S.; Shaw, J. H.; Plesch, A.; Olsen, K. B.; Jordan, T. H.; Goulet, C. A.

2017-12-01

Crustal seismic velocity models and datasets play a key role in regional three-dimensional numerical earthquake ground-motion simulation, full waveform tomography, modern physics-based probabilistic earthquake hazard analysis, as well as in other related fields including geophysics, seismology, and earthquake engineering. The standard material properties provided by a seismic velocity model are P- and S-wave velocities and density for any arbitrary point within the geographic volume for which the model is defined. Many seismic velocity models and datasets are constructed by synthesizing information from multiple sources and the resulting models are delivered to users in multiple file formats, such as text files, binary files, HDF-5 files, structured and unstructured grids, and through computer applications that allow for interactive querying of material properties. The Southern California Earthquake Center (SCEC) has developed the Unified Community Velocity Model (UCVM) software framework to facilitate the registration and distribution of existing and future seismic velocity models to the SCEC community. The UCVM software framework is designed to provide a standard query interface to multiple, alternative velocity models, even if the underlying velocity models are defined in different formats or use different geographic projections. The UCVM framework provides a comprehensive set of open-source tools for querying seismic velocity model properties, combining regional 3D models and 1D background models, visualizing 3D models, and generating computational models in the form of regular grids or unstructured meshes that can be used as inputs for ground-motion simulations. The UCVM framework helps researchers compare seismic velocity models and build equivalent simulation meshes from alternative velocity models. These capabilities enable researchers to evaluate the impact of alternative velocity models in ground-motion simulations and seismic hazard analysis applications

Generic framework for mining cellular automata models on protein-folding simulations.

Science.gov (United States)

Diaz, N; Tischer, I

2016-05-13

Cellular automata model identification is an important way of building simplified simulation models. In this study, we describe a generic architectural framework to ease the development process of new metaheuristic-based algorithms for cellular automata model identification in protein-folding trajectories. Our framework was developed by a methodology based on design patterns that allow an improved experience for new algorithms development. The usefulness of the proposed framework is demonstrated by the implementation of four algorithms, able to obtain extremely precise cellular automata models of the protein-folding process with a protein contact map representation. Dynamic rules obtained by the proposed approach are discussed, and future use for the new tool is outlined.

A conceptual modeling framework for discrete event simulation using hierarchical control structures.

Science.gov (United States)

Furian, N; O'Sullivan, M; Walker, C; Vössner, S; Neubacher, D

2015-08-01

Conceptual Modeling (CM) is a fundamental step in a simulation project. Nevertheless, it is only recently that structured approaches towards the definition and formulation of conceptual models have gained importance in the Discrete Event Simulation (DES) community. As a consequence, frameworks and guidelines for applying CM to DES have emerged and discussion of CM for DES is increasing. However, both the organization of model-components and the identification of behavior and system control from standard CM approaches have shortcomings that limit CM's applicability to DES. Therefore, we discuss the different aspects of previous CM frameworks and identify their limitations. Further, we present the Hierarchical Control Conceptual Modeling framework that pays more attention to the identification of a models' system behavior, control policies and dispatching routines and their structured representation within a conceptual model. The framework guides the user step-by-step through the modeling process and is illustrated by a worked example.

Computational models in physics teaching: a framework

Directory of Open Access Journals (Sweden)

Marco Antonio Moreira

2012-08-01

Full Text Available The purpose of the present paper is to present a theoretical framework to promote and assist meaningful physics learning through computational models. Our proposal is based on the use of a tool, the AVM diagram, to design educational activities involving modeling and computer simulations. The idea is to provide a starting point for the construction and implementation of didactical approaches grounded in a coherent epistemological view about scientific modeling.

National water, food, and trade modeling framework: The case of Egypt.

Science.gov (United States)

Abdelkader, A; Elshorbagy, A; Tuninetti, M; Laio, F; Ridolfi, L; Fahmy, H; Hoekstra, A Y

2018-05-22

This paper introduces a modeling framework for the analysis of real and virtual water flows at national scale. The framework has two components: (1) a national water model that simulates agricultural, industrial and municipal water uses, and available water and land resources; and (2) an international virtual water trade model that captures national virtual water exports and imports related to trade in crops and animal products. This National Water, Food & Trade (NWFT) modeling framework is applied to Egypt, a water-poor country and the world's largest importer of wheat. Egypt's food and water gaps and the country's food (virtual water) imports are estimated over a baseline period (1986-2013) and projected up to 2050 based on four scenarios. Egypt's food and water gaps are growing rapidly as a result of steep population growth and limited water resources. The NWFT modeling framework shows the nexus of the population dynamics, water uses for different sectors, and their compounding effects on Egypt's food gap and water self-sufficiency. The sensitivity analysis reveals that for solving Egypt's water and food problem non-water-based solutions like educational, health, and awareness programs aimed at lowering population growth will be an essential addition to the traditional water resources development solution. Both the national and the global models project similar trends of Egypt's food gap. The NWFT modeling framework can be easily adapted to other nations and regions. Copyright © 2018. Published by Elsevier B.V.

An entropic framework for modeling economies

Science.gov (United States)

Caticha, Ariel; Golan, Amos

2014-08-01

We develop an information-theoretic framework for economic modeling. This framework is based on principles of entropic inference that are designed for reasoning on the basis of incomplete information. We take the point of view of an external observer who has access to limited information about broad macroscopic economic features. We view this framework as complementary to more traditional methods. The economy is modeled as a collection of agents about whom we make no assumptions of rationality (in the sense of maximizing utility or profit). States of statistical equilibrium are introduced as those macrostates that maximize entropy subject to the relevant information codified into constraints. The basic assumption is that this information refers to supply and demand and is expressed in the form of the expected values of certain quantities (such as inputs, resources, goods, production functions, utility functions and budgets). The notion of economic entropy is introduced. It provides a measure of the uniformity of the distribution of goods and resources. It captures both the welfare state of the economy as well as the characteristics of the market (say, monopolistic, concentrated or competitive). Prices, which turn out to be the Lagrange multipliers, are endogenously generated by the economy. Further studies include the equilibrium between two economies and the conditions for stability. As an example, the case of the nonlinear economy that arises from linear production and utility functions is treated in some detail.

AGAMA: Action-based galaxy modeling framework

Science.gov (United States)

Vasiliev, Eugene

2018-05-01

The AGAMA library models galaxies. It computes gravitational potential and forces, performs orbit integration and analysis, and can convert between position/velocity and action/angle coordinates. It offers a framework for finding best-fit parameters of a model from data and self-consistent multi-component galaxy models, and contains useful auxiliary utilities such as various mathematical routines. The core of the library is written in C++, and there are Python and Fortran interfaces. AGAMA may be used as a plugin for the stellar-dynamical software packages galpy (ascl:1411.008), AMUSE (ascl:1107.007), and NEMO (ascl:1010.051).

Ordering of Zn-centered porphyrin and phthalocyanine on TiO2(011: STM studies

Directory of Open Access Journals (Sweden)

Piotr Olszowski

2017-01-01

Full Text Available Zn(IIphthalocyanine molecules (ZnPc were thermally deposited on a rutile TiO2(011 surface and on Zn(IImeso-tetraphenylporphyrin (ZnTPP wetting layers at room temperature and after elevated temperature thermal processing. The molecular homo- and heterostructures were characterized by high-resolution scanning tunneling microscopy (STM at room temperature and their geometrical arrangement and degree of ordering are compared with the previously studied copper phthalocyanine (CuPc and ZnTPP heterostructures. It was found that the central metal atom may play some role in ordering and growth of phthalocyanine/ZnTPP heterostructures, causing differences in stability of upright standing ZnPc versus CuPc molecular chains at given thermal annealing conditions.

New framework for standardized notation in wastewater treatment modelling

DEFF Research Database (Denmark)

Corominas, L.; Rieger, L.; Takacs, I.

2010-01-01

Many unit process models are available in the field of wastewater treatment. All of these models use their own notation, causing problems for documentation, implementation and connection of different models (using different sets of state variables). The main goal of this paper is to propose a new...... is a framework that can be used in whole plant modelling, which consists of different fields such as activated sludge, anaerobic digestion, sidestream treatment, membrane bioreactors, metabolic approaches, fate of micropollutants and biofilm processes. The main objective of this consensus building paper...... notational framework which allows unique and systematic naming of state variables and parameters of biokinetic models in the wastewater treatment field. The symbols are based on one main letter that gives a general description of the state variable or parameter and several subscript levels that provide...

Generic modelling framework for economic analysis of battery systems

DEFF Research Database (Denmark)

You, Shi; Rasmussen, Claus Nygaard

2011-01-01

opportunities, a generic modelling framework is proposed to handle this task. This framework outlines a set of building blocks which are necessary for carrying out the economic analysis of various BS applications. Further, special focus is given on describing how to use the rainflow cycle counting algorithm...... for battery cycle life estimation, since the cycle life plays a central role in the economic analysis of BS. To illustrate the modelling framework, a case study using a Sodium Sulfur Battery (NAS) system with 5-minute regulating service is performed. The economic performances of two dispatch scenarios, a so......Deregulated electricity markets provide opportunities for Battery Systems (BS) to participate in energy arbitrage and ancillary services (regulation, operating reserves, contingency reserves, voltage regulation, power quality etc.). To evaluate the economic viability of BS with different business...

A community-based framework for aquatic ecosystem models

NARCIS (Netherlands)

Trolle, D.; Hamilton, D.P.; Hipsey, M.R.; Bolding, K.; Bruggeman, J.; Mooij, W.M.; Janse, J.H.; Nielsen, A.; Jeppesen, E.; Elliott, J.A.; Makler-Pick, V.; Petzoldt, T.; Rinke, K.; Flindt, M.R.; Arhonditsis, G.B.; Gal, G.; Bjerring, R.; Tominaga, K.; Hoen, 't J.; Downing, A.S.; Marques, D.M.; Fragoso, C.R.; Sondergaard, M.; Hanson, P.C.

2012-01-01

Here, we communicate a point of departure in the development of aquatic ecosystem models, namely a new community-based framework, which supports an enhanced and transparent union between the collective expertise that exists in the communities of traditional ecologists and model developers. Through a

A Conceptual Framework of Business Model Emerging Resilience

OpenAIRE

Goumagias, Nik; Fernandes, Kiran; Cabras, Ignazio; Li, Feng; Shao, Jianhao; Devlin, Sam; Hodge, Victoria Jane; Cowling, Peter Ivan; Kudenko, Daniel

2016-01-01

In this paper we introduce an environmentally driven conceptual framework of Business Model change. Business models acquired substantial momentum in academic literature during the past decade. Several studies focused on what exactly constitutes a Business Model (role model, recipe, architecture etc.) triggering a theoretical debate about the Business Model’s components and their corresponding dynamics and relationships. In this paper, we argue that for Business Models as cognitive structures,...

A conceptual modeling framework for discrete event simulation using hierarchical control structures

Science.gov (United States)

Furian, N.; O’Sullivan, M.; Walker, C.; Vössner, S.; Neubacher, D.

2015-01-01

Conceptual Modeling (CM) is a fundamental step in a simulation project. Nevertheless, it is only recently that structured approaches towards the definition and formulation of conceptual models have gained importance in the Discrete Event Simulation (DES) community. As a consequence, frameworks and guidelines for applying CM to DES have emerged and discussion of CM for DES is increasing. However, both the organization of model-components and the identification of behavior and system control from standard CM approaches have shortcomings that limit CM’s applicability to DES. Therefore, we discuss the different aspects of previous CM frameworks and identify their limitations. Further, we present the Hierarchical Control Conceptual Modeling framework that pays more attention to the identification of a models’ system behavior, control policies and dispatching routines and their structured representation within a conceptual model. The framework guides the user step-by-step through the modeling process and is illustrated by a worked example. PMID:26778940

Why does the disorder of R-pn and rac-pn ligands in the quasi-one-dimensional bromo-bridged NiIII complexes, [Ni(pn)2Br]Br2 (pn=1,2-diaminopropane) afford similar STM patterns?

Science.gov (United States)

Wu, Hashen; Kawakami, Daisuke; Sasaki, Mari; Xie, Jimin; Takaishi, Shinya; Kajiwara, Takashi; Miyasaka, Hitoshi; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi

2007-09-03

The disordered patterns of R- and rac-1,2-diaminopropane (pn) in quasi-one-dimensional bromo-bridged Ni(III) complexes, [NiIII(pn)2Br]Br2, have been investigated by single-crystal X-ray structure determination and scanning tunneling microscopy (STM). X-ray structure determination shows that the methyl moieties are disordered on the right- and left-hand sides with half occupancies in both compounds, while the carbon atoms of the ethylene moieties of pn ligands are disordered in [Ni(rac-pn)2Br]Br2 and not disordered in [Ni(R-pn)2Br]Br2. In the STM images of both compounds, the bright spots are not straight but fluctuated with the similar patterns. We have concluded that tunnel current from the STM tip to metal ions are detected via methyl groups of pn ligands.

A Framework for the Optimization of Discrete-Event Simulation Models

Science.gov (United States)

Joshi, B. D.; Unal, R.; White, N. H.; Morris, W. D.

1996-01-01

With the growing use of computer modeling and simulation, in all aspects of engineering, the scope of traditional optimization has to be extended to include simulation models. Some unique aspects have to be addressed while optimizing via stochastic simulation models. The optimization procedure has to explicitly account for the randomness inherent in the stochastic measures predicted by the model. This paper outlines a general purpose framework for optimization of terminating discrete-event simulation models. The methodology combines a chance constraint approach for problem formulation, together with standard statistical estimation and analyses techniques. The applicability of the optimization framework is illustrated by minimizing the operation and support resources of a launch vehicle, through a simulation model.

A computer-aided framework for development, identification andmanagement of physiologically-based pharmacokinetic models

DEFF Research Database (Denmark)

Heitzig, Martina; Linninger, Andreas; Sin, Gürkan

2014-01-01

The objective of this work is the development of a generic computer-aided modelling framework to support the development of physiologically-based pharmacokinetic models thereby increasing the efficiency and quality of the modelling process. In particular, the framework systematizes the modelling...

Automatic Model Generation Framework for Computational Simulation of Cochlear Implantation.

Science.gov (United States)

Mangado, Nerea; Ceresa, Mario; Duchateau, Nicolas; Kjer, Hans Martin; Vera, Sergio; Dejea Velardo, Hector; Mistrik, Pavel; Paulsen, Rasmus R; Fagertun, Jens; Noailly, Jérôme; Piella, Gemma; González Ballester, Miguel Ángel

2016-08-01

Recent developments in computational modeling of cochlear implantation are promising to study in silico the performance of the implant before surgery. However, creating a complete computational model of the patient's anatomy while including an external device geometry remains challenging. To address such a challenge, we propose an automatic framework for the generation of patient-specific meshes for finite element modeling of the implanted cochlea. First, a statistical shape model is constructed from high-resolution anatomical μCT images. Then, by fitting the statistical model to a patient's CT image, an accurate model of the patient-specific cochlea anatomy is obtained. An algorithm based on the parallel transport frame is employed to perform the virtual insertion of the cochlear implant. Our automatic framework also incorporates the surrounding bone and nerve fibers and assigns constitutive parameters to all components of the finite element model. This model can then be used to study in silico the effects of the electrical stimulation of the cochlear implant. Results are shown on a total of 25 models of patients. In all cases, a final mesh suitable for finite element simulations was obtained, in an average time of 94 s. The framework has proven to be fast and robust, and is promising for a detailed prognosis of the cochlear implantation surgery.

A framework for modelling the complexities of food and water security under globalisation

Science.gov (United States)

Dermody, Brian J.; Sivapalan, Murugesu; Stehfest, Elke; van Vuuren, Detlef P.; Wassen, Martin J.; Bierkens, Marc F. P.; Dekker, Stefan C.

2018-01-01

We present a new framework for modelling the complexities of food and water security under globalisation. The framework sets out a method to capture regional and sectoral interdependencies and cross-scale feedbacks within the global food system that contribute to emergent water use patterns. The framework integrates aspects of existing models and approaches in the fields of hydrology and integrated assessment modelling. The core of the framework is a multi-agent network of city agents connected by infrastructural trade networks. Agents receive socio-economic and environmental constraint information from integrated assessment models and hydrological models respectively and simulate complex, socio-environmental dynamics that operate within those constraints. The emergent changes in food and water resources are aggregated and fed back to the original models with minimal modification of the structure of those models. It is our conviction that the framework presented can form the basis for a new wave of decision tools that capture complex socio-environmental change within our globalised world. In doing so they will contribute to illuminating pathways towards a sustainable future for humans, ecosystems and the water they share.

The development of stream temperature model in a mountainous river of Taiwan.

Science.gov (United States)

Tung, Ching-Pin; Lee, Tsung-Yu; Huang, Jr-Chuang; Perng, Po-Wen; Kao, Shih-Ji; Liao, Lin-Yen

2014-11-01

Formosan landlocked salmon is an endangered species and is very sensitive to stream temperature change. This study attempts to improve a former stream temperature model (STM) which was developed for the salmon's habitat to simulate stream temperature more realistically. Two modules, solar radiation modification (SRM) and surface/subsurface runoff mixing (RM), were incorporated to overcome the limitation of STM designed only for clear-sky conditions. It was found that daily temperature difference is related to cloud cover and can be used to adjust the effects of cloud cover on incident solar radiation to the ground level. The modified model (STM + SRM) improved the simulation during a baseflow period in both winter and summer with the Nash-Sutcliffe efficiency coefficient improved from 0.37 (by STM only) to 0.71 for the winter and from -0.18 to 0.70 for the summer. On the days with surface/subsurface runoff, the incorporation of the two new modules together (STM + SRM + RM) improved the Nash-Sutcliffe efficiency coefficient from 0.00 to 0.65 and from 0.29 to 0.83 in the winter and the summer, respectively. Meanwhile, the contributions of major thermal sources to stream temperature changes were identified. Groundwater is a major controlling factor for regulating seasonal changes of stream temperature while solar radiation is the primary factor controlling daily stream temperature variations. This study advanced our understanding on short-term stream temperature variation, which could be useful for the authorities to restore the salmon's habitat.

A Bayesian framework for parameter estimation in dynamical models.

Directory of Open Access Journals (Sweden)

Flávio Codeço Coelho

Full Text Available Mathematical models in biology are powerful tools for the study and exploration of complex dynamics. Nevertheless, bringing theoretical results to an agreement with experimental observations involves acknowledging a great deal of uncertainty intrinsic to our theoretical representation of a real system. Proper handling of such uncertainties is key to the successful usage of models to predict experimental or field observations. This problem has been addressed over the years by many tools for model calibration and parameter estimation. In this article we present a general framework for uncertainty analysis and parameter estimation that is designed to handle uncertainties associated with the modeling of dynamic biological systems while remaining agnostic as to the type of model used. We apply the framework to fit an SIR-like influenza transmission model to 7 years of incidence data in three European countries: Belgium, the Netherlands and Portugal.

Industrial Sector Energy Efficiency Modeling (ISEEM) Framework Documentation

Energy Technology Data Exchange (ETDEWEB)

Karali, Nihan [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Xu, Tengfang [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Sathaye, Jayant [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2012-12-12

The goal of this study is to develop a new bottom-up industry sector energy-modeling framework with an agenda of addressing least cost regional and global carbon reduction strategies, improving the capabilities and limitations of the existing models that allows trading across regions and countries as an alternative.

Measurement of mesoscopic Si:P delta-doped devices fabricated by rapid STM hydrogen depassivation lithography via field-emission

Science.gov (United States)

Rudolph, M.; Carr, S. M.; Subramania, G.; Ten Eyck, G.; Dominguez, J.; Lilly, M. P.; Carroll, M. S.; Bussmann, E.

2014-03-01

Recently, a method to fabricate nanoelectronic and quantum devices has been developed that utilizes scanning tunneling microscopy (STM) to place dopants (P) into Si with deterministic atomic-precision. Dopant placement is achieved via STM hydrogen depassivation lithography (HDL). Typically HDL is performed in a low-voltage tunneling mode where electrons desorb one H at a time, which requires extremely slow scan rates. Here, we introduce a high-voltage field-emission HDL, increasing patterning scan rate by an order of magnitude. Using the field-emission mode, we fabricated several HDL-patterned Si:P delta-doped devices, including a microscale multi-terminal Hall Effect device and a nanoscale quantum point contact. Low temperature transport measurements of the Hall device reveal a dopant density of 1014 cm-2, resistance of 2 k Ω/square, and mobility of 30 cm2/Vs. The quantum point contact showed a blockaded voltage range of 80 mV, comparable to other similar devices patterned using conventional HDL. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE, Office of Basic Energy Sciences user facility. The work was supported by the Sandia National Laboratories Directed Research and Development Program. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.

A general science-based framework for dynamical spatio-temporal models

Science.gov (United States)

Wikle, C.K.; Hooten, M.B.

2010-01-01

Spatio-temporal statistical models are increasingly being used across a wide variety of scientific disciplines to describe and predict spatially-explicit processes that evolve over time. Correspondingly, in recent years there has been a significant amount of research on new statistical methodology for such models. Although descriptive models that approach the problem from the second-order (covariance) perspective are important, and innovative work is being done in this regard, many real-world processes are dynamic, and it can be more efficient in some cases to characterize the associated spatio-temporal dependence by the use of dynamical models. The chief challenge with the specification of such dynamical models has been related to the curse of dimensionality. Even in fairly simple linear, first-order Markovian, Gaussian error settings, statistical models are often over parameterized. Hierarchical models have proven invaluable in their ability to deal to some extent with this issue by allowing dependency among groups of parameters. In addition, this framework has allowed for the specification of science based parameterizations (and associated prior distributions) in which classes of deterministic dynamical models (e. g., partial differential equations (PDEs), integro-difference equations (IDEs), matrix models, and agent-based models) are used to guide specific parameterizations. Most of the focus for the application of such models in statistics has been in the linear case. The problems mentioned above with linear dynamic models are compounded in the case of nonlinear models. In this sense, the need for coherent and sensible model parameterizations is not only helpful, it is essential. Here, we present an overview of a framework for incorporating scientific information to motivate dynamical spatio-temporal models. First, we illustrate the methodology with the linear case. We then develop a general nonlinear spatio-temporal framework that we call general quadratic

ToPS: a framework to manipulate probabilistic models of sequence data.

Directory of Open Access Journals (Sweden)

André Yoshiaki Kashiwabara

Full Text Available Discrete Markovian models can be used to characterize patterns in sequences of values and have many applications in biological sequence analysis, including gene prediction, CpG island detection, alignment, and protein profiling. We present ToPS, a computational framework that can be used to implement different applications in bioinformatics analysis by combining eight kinds of models: (i independent and identically distributed process; (ii variable-length Markov chain; (iii inhomogeneous Markov chain; (iv hidden Markov model; (v profile hidden Markov model; (vi pair hidden Markov model; (vii generalized hidden Markov model; and (viii similarity based sequence weighting. The framework includes functionality for training, simulation and decoding of the models. Additionally, it provides two methods to help parameter setting: Akaike and Bayesian information criteria (AIC and BIC. The models can be used stand-alone, combined in Bayesian classifiers, or included in more complex, multi-model, probabilistic architectures using GHMMs. In particular the framework provides a novel, flexible, implementation of decoding in GHMMs that detects when the architecture can be traversed efficiently.

Manipulating a Co adatom on a stepped Cu surface by an STM tip: A theoretical study

International Nuclear Information System (INIS)

Liu, L.; Huang, R.Z.; Sun, Y.S.N.; Du, C.C.; Zhang, R.J.; Zheng, Y.X.; Wu, Y.X.

2014-01-01

A successful atomic manipulation may be influenced by many factors such as bias voltage, tip structure and manipulation modes et al. Here, performing atomic-scale simulations with ab initio based many-body potentials, we have studied the vertical and lateral manipulation of a single Co adatom on metallic Cu surfaces using STM tips at zero bias voltage. A suitable scheme for manipulating the Co adatom on a Cu(5 5 4) surface is proposed. The optimum tip height for a successful lateral manipulation is determined and the reliability of the lateral manipulation of the adatom on the stepped surface is assessed

Generic Model Predictive Control Framework for Advanced Driver Assistance Systems

NARCIS (Netherlands)

Wang, M.

2014-01-01

This thesis deals with a model predictive control framework for control design of Advanced Driver Assistance Systems, where car-following tasks are under control. The framework is applied to design several autonomous and cooperative controllers and to examine the controller properties at the

A safe vaccine (DV-STM-07 against Salmonella infection prevents abortion and confers protective immunity to the pregnant and new born mice.

Directory of Open Access Journals (Sweden)

Vidya Devi Negi

Full Text Available Pregnancy is a transient immuno-compromised condition which has evolved to avoid the immune rejection of the fetus by the maternal immune system. The altered immune response of the pregnant female leads to increased susceptibility to invading pathogens, resulting in abortion and congenital defects of the fetus and a subnormal response to vaccination. Active vaccination during pregnancy may lead to abortion induced by heightened cell mediated immune response. In this study, we have administered the highly attenuated vaccine strain DeltapmrG-HM-D (DV-STM-07 in female mice before the onset of pregnancy and followed the immune reaction against challenge with virulent S. Typhimurium in pregnant mice. Here we demonstrate that DV-STM-07 vaccine gives protection against Salmonella in pregnant mice and also prevents Salmonella induced abortion. This protection is conferred by directing the immune response towards Th2 activation and Th1 suppression. The low Th1 response prevents abortion. The use of live attenuated vaccine just before pregnancy carries the risk of transmission to the fetus. We have shown that this vaccine is safe as the vaccine strain is quickly eliminated from the mother and is not transmitted to the fetus. This vaccine also confers immunity to the new born mice of vaccinated mothers. Since there is no evidence of the vaccine candidate reaching the new born mice, we hypothesize that it may be due to trans-colostral transfer of protective anti-Salmonella antibodies. These results suggest that our vaccine DV-STM-07 can be very useful in preventing abortion in the pregnant individuals and confer immunity to the new born. Since there are no such vaccine candidates which can be given to the new born and to the pregnant women, this vaccine holds a very bright future to combat Salmonella induced pregnancy loss.

Toward a consistent modeling framework to assess multi-sectoral climate impacts.

Science.gov (United States)

Monier, Erwan; Paltsev, Sergey; Sokolov, Andrei; Chen, Y-H Henry; Gao, Xiang; Ejaz, Qudsia; Couzo, Evan; Schlosser, C Adam; Dutkiewicz, Stephanie; Fant, Charles; Scott, Jeffery; Kicklighter, David; Morris, Jennifer; Jacoby, Henry; Prinn, Ronald; Haigh, Martin

2018-02-13

Efforts to estimate the physical and economic impacts of future climate change face substantial challenges. To enrich the currently popular approaches to impact analysis-which involve evaluation of a damage function or multi-model comparisons based on a limited number of standardized scenarios-we propose integrating a geospatially resolved physical representation of impacts into a coupled human-Earth system modeling framework. Large internationally coordinated exercises cannot easily respond to new policy targets and the implementation of standard scenarios across models, institutions and research communities can yield inconsistent estimates. Here, we argue for a shift toward the use of a self-consistent integrated modeling framework to assess climate impacts, and discuss ways the integrated assessment modeling community can move in this direction. We then demonstrate the capabilities of such a modeling framework by conducting a multi-sectoral assessment of climate impacts under a range of consistent and integrated economic and climate scenarios that are responsive to new policies and business expectations.

Computational modeling of Metal-Organic Frameworks

Science.gov (United States)

Sung, Jeffrey Chuen-Fai

In this work, the metal-organic frameworks MIL-53(Cr), DMOF-2,3-NH 2Cl, DMOF-2,5-NH2Cl, and HKUST-1 were modeled using molecular mechanics and electronic structure. The effect of electronic polarization on the adsorption of water in MIL-53(Cr) was studied using molecular dynamics simulations of water-loaded MIL-53 systems with both polarizable and non-polarizable force fields. Molecular dynamics simulations of the full systems and DFT calculations on representative framework clusters were utilized to study the difference in nitrogen adsorption between DMOF-2,3-NH2Cl and DMOF-2,5-NH 2Cl. Finally, the control of proton conduction in HKUST-1 by complexation of molecules to the Cu open metal site was investigated using the MS-EVB methodology.

Hybrid modelling framework by using mathematics-based and information-based methods

International Nuclear Information System (INIS)

Ghaboussi, J; Kim, J; Elnashai, A

2010-01-01

Mathematics-based computational mechanics involves idealization in going from the observed behaviour of a system into mathematical equations representing the underlying mechanics of that behaviour. Idealization may lead mathematical models that exclude certain aspects of the complex behaviour that may be significant. An alternative approach is data-centric modelling that constitutes a fundamental shift from mathematical equations to data that contain the required information about the underlying mechanics. However, purely data-centric methods often fail for infrequent events and large state changes. In this article, a new hybrid modelling framework is proposed to improve accuracy in simulation of real-world systems. In the hybrid framework, a mathematical model is complemented by information-based components. The role of informational components is to model aspects which the mathematical model leaves out. The missing aspects are extracted and identified through Autoprogressive Algorithms. The proposed hybrid modelling framework has a wide range of potential applications for natural and engineered systems. The potential of the hybrid methodology is illustrated through modelling highly pinched hysteretic behaviour of beam-to-column connections in steel frames.

A Modeling Framework for Conventional and Heat Integrated Distillation Columns

DEFF Research Database (Denmark)

Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens

2013-01-01

In this paper, a generic, modular model framework for describing fluid separation by distillation is presented. At present, the framework is able to describe a conventional distillation column and a heat-integrated distillation column, but due to a modular structure the database can be further...

A framework for performance evaluation of model-based optical trackers

NARCIS (Netherlands)

Smit, F.A.; Liere, van R.

2008-01-01

We describe a software framework to evaluate the performance of model-based optical trackers in virtual environments. The framework can be used to evaluate and compare the performance of different trackers under various conditions, to study the effects of varying intrinsic and extrinsic camera

Design of PID temperature control system based on STM32

Science.gov (United States)

Zhang, Jianxin; Li, Hailin; Ma, Kai; Xue, Liang; Han, Bianhua; Dong, Yuemeng; Tan, Yue; Gu, Chengru

2018-03-01

A rapid and high-accuracy temperature control system was designed using proportional-integral-derivative (PID) control algorithm with STM32 as micro-controller unit (MCU). The temperature control system can be applied in the fields which have high requirements on the response speed and accuracy of temperature control. The temperature acquisition circuit in system adopted Pt1000 resistance thermometer as temperature sensor. Through this acquisition circuit, the monitoring actual temperature signal could be converted into voltage signal and transmitted into MCU. A TLP521-1 photoelectric coupler was matched with BD237 power transistor to drive the thermoelectric cooler (TEC) in FTA951 module. The effective electric power of TEC was controlled by the pulse width modulation (PWM) signals which generated by MCU. The PWM signal parameters could be adjusted timely by PID algorithm according to the difference between monitoring actual temperature and set temperature. The upper computer was used to input the set temperature and monitor the system running state via serial port. The application experiment results show that the temperature control system is featured by simple structure, rapid response speed, good stability and high temperature control accuracy with the error less than ±0.5°C.

A framework for modelling the complexities of food and water security under globalisation

Directory of Open Access Journals (Sweden)

B. J. Dermody

2018-01-01

Full Text Available We present a new framework for modelling the complexities of food and water security under globalisation. The framework sets out a method to capture regional and sectoral interdependencies and cross-scale feedbacks within the global food system that contribute to emergent water use patterns. The framework integrates aspects of existing models and approaches in the fields of hydrology and integrated assessment modelling. The core of the framework is a multi-agent network of city agents connected by infrastructural trade networks. Agents receive socio-economic and environmental constraint information from integrated assessment models and hydrological models respectively and simulate complex, socio-environmental dynamics that operate within those constraints. The emergent changes in food and water resources are aggregated and fed back to the original models with minimal modification of the structure of those models. It is our conviction that the framework presented can form the basis for a new wave of decision tools that capture complex socio-environmental change within our globalised world. In doing so they will contribute to illuminating pathways towards a sustainable future for humans, ecosystems and the water they share.

A Liver-Centric Multiscale Modeling Framework for Xenobiotics.

Directory of Open Access Journals (Sweden)

James P Sluka

Full Text Available We describe a multi-scale, liver-centric in silico modeling framework for acetaminophen pharmacology and metabolism. We focus on a computational model to characterize whole body uptake and clearance, liver transport and phase I and phase II metabolism. We do this by incorporating sub-models that span three scales; Physiologically Based Pharmacokinetic (PBPK modeling of acetaminophen uptake and distribution at the whole body level, cell and blood flow modeling at the tissue/organ level and metabolism at the sub-cellular level. We have used standard modeling modalities at each of the three scales. In particular, we have used the Systems Biology Markup Language (SBML to create both the whole-body and sub-cellular scales. Our modeling approach allows us to run the individual sub-models separately and allows us to easily exchange models at a particular scale without the need to extensively rework the sub-models at other scales. In addition, the use of SBML greatly facilitates the inclusion of biological annotations directly in the model code. The model was calibrated using human in vivo data for acetaminophen and its sulfate and glucuronate metabolites. We then carried out extensive parameter sensitivity studies including the pairwise interaction of parameters. We also simulated population variation of exposure and sensitivity to acetaminophen. Our modeling framework can be extended to the prediction of liver toxicity following acetaminophen overdose, or used as a general purpose pharmacokinetic model for xenobiotics.

TLS and photogrammetry for the modeling of a historic wooden framework

Science.gov (United States)

Koehl, M.; Viale, M.

2012-04-01

The building which is the object of the study is located in the center of Andlau, France. This mansion that was built in 1582 was the residence of the Lords of Andlau from the XVIth century until the French Revolution. Its architecture represents the Renaissance style of the XVIth century in particular by its volutes and its spiral staircase inside the polygonal turret. In January 2005, the municipality of Andlau became the owner of this Seigneury which is intended to welcome the future Heritage Interpretation Center (HIC), a museum is also going to be created there. Three levels of attic of this building are going to be restored and isolated, the historic framework will that way be masked and the last three levels will not be accessible any more. In this context, our lab was asked to model the framework to allow to make diagnoses there, to learn to know and to consolidate the knowledge on this type of historic framework. Finally, next to a virtual visualization, we provided other applications in particular the creation of an accurate 3D model of the framework for animations, as well as for foundation of an historical information system and for supplying the future museum and HIC with digital data. The project contains different phases: the data acquisition, the model creation and data structuring, the creation of an interactive model and the integration in a historic information system. All levels of the attic were acquired: a 3D Trimble GX scanner and partially a Trimble CX scanner were used in particular for the acquisition of data in the highest part of the framework. The various scans were directly georeferenced in the field thanks to control points, then merged together in an unique point cloud covering the whole structure. Several panoramic photos were also realized to create a virtual tour of the framework and the surroundings of the Seigneury. The purpose of the project was to supply a 3D model allowing the creation of scenographies and interactive

A Theoretically Consistent Framework for Modelling Lagrangian Particle Deposition in Plant Canopies

Science.gov (United States)

Bailey, Brian N.; Stoll, Rob; Pardyjak, Eric R.

2018-06-01

We present a theoretically consistent framework for modelling Lagrangian particle deposition in plant canopies. The primary focus is on describing the probability of particles encountering canopy elements (i.e., potential deposition), and provides a consistent means for including the effects of imperfect deposition through any appropriate sub-model for deposition efficiency. Some aspects of the framework draw upon an analogy to radiation propagation through a turbid medium with which to develop model theory. The present method is compared against one of the most commonly used heuristic Lagrangian frameworks, namely that originally developed by Legg and Powell (Agricultural Meteorology, 1979, Vol. 20, 47-67), which is shown to be theoretically inconsistent. A recommendation is made to discontinue the use of this heuristic approach in favour of the theoretically consistent framework developed herein, which is no more difficult to apply under equivalent assumptions. The proposed framework has the additional advantage that it can be applied to arbitrary canopy geometries given readily measurable parameters describing vegetation structure.

Open source data assimilation framework for hydrological modeling

Science.gov (United States)

Ridler, Marc; Hummel, Stef; van Velzen, Nils; Katrine Falk, Anne; Madsen, Henrik

2013-04-01

An open-source data assimilation framework is proposed for hydrological modeling. Data assimilation (DA) in hydrodynamic and hydrological forecasting systems has great potential to improve predictions and improve model result. The basic principle is to incorporate measurement information into a model with the aim to improve model results by error minimization. Great strides have been made to assimilate traditional in-situ measurements such as discharge, soil moisture, hydraulic head and snowpack into hydrologic models. More recently, remotely sensed data retrievals of soil moisture, snow water equivalent or snow cover area, surface water elevation, terrestrial water storage and land surface temperature have been successfully assimilated in hydrological models. The assimilation algorithms have become increasingly sophisticated to manage measurement and model bias, non-linear systems, data sparsity (time & space) and undetermined system uncertainty. It is therefore useful to use a pre-existing DA toolbox such as OpenDA. OpenDA is an open interface standard for (and free implementation of) a set of tools to quickly implement DA and calibration for arbitrary numerical models. The basic design philosophy of OpenDA is to breakdown DA into a set of building blocks programmed in object oriented languages. To implement DA, a model must interact with OpenDA to create model instances, propagate the model, get/set variables (or parameters) and free the model once DA is completed. An open-source interface for hydrological models exists capable of all these tasks: OpenMI. OpenMI is an open source standard interface already adopted by key hydrological model providers. It defines a universal approach to interact with hydrological models during simulation to exchange data during runtime, thus facilitating the interactions between models and data sources. The interface is flexible enough so that models can interact even if the model is coded in a different language, represent

A Structural Model Decomposition Framework for Systems Health Management

Science.gov (United States)

Roychoudhury, Indranil; Daigle, Matthew J.; Bregon, Anibal; Pulido, Belamino

2013-01-01

Systems health management (SHM) is an important set of technologies aimed at increasing system safety and reliability by detecting, isolating, and identifying faults; and predicting when the system reaches end of life (EOL), so that appropriate fault mitigation and recovery actions can be taken. Model-based SHM approaches typically make use of global, monolithic system models for online analysis, which results in a loss of scalability and efficiency for large-scale systems. Improvement in scalability and efficiency can be achieved by decomposing the system model into smaller local submodels and operating on these submodels instead. In this paper, the global system model is analyzed offline and structurally decomposed into local submodels. We define a common model decomposition framework for extracting submodels from the global model. This framework is then used to develop algorithms for solving model decomposition problems for the design of three separate SHM technologies, namely, estimation (which is useful for fault detection and identification), fault isolation, and EOL prediction. We solve these model decomposition problems using a three-tank system as a case study.

A structural model decomposition framework for systems health management

Science.gov (United States)

Roychoudhury, I.; Daigle, M.; Bregon, A.; Pulido, B.

Systems health management (SHM) is an important set of technologies aimed at increasing system safety and reliability by detecting, isolating, and identifying faults; and predicting when the system reaches end of life (EOL), so that appropriate fault mitigation and recovery actions can be taken. Model-based SHM approaches typically make use of global, monolithic system models for online analysis, which results in a loss of scalability and efficiency for large-scale systems. Improvement in scalability and efficiency can be achieved by decomposing the system model into smaller local submodels and operating on these submodels instead. In this paper, the global system model is analyzed offline and structurally decomposed into local submodels. We define a common model decomposition framework for extracting submodels from the global model. This framework is then used to develop algorithms for solving model decomposition problems for the design of three separate SHM technologies, namely, estimation (which is useful for fault detection and identification), fault isolation, and EOL prediction. We solve these model decomposition problems using a three-tank system as a case study.

Interaction of gold with a pinwheel TiO similar to .sub.1,2./sub. film formed on Rh(111) facet: STM and DFT studies

Czech Academy of Sciences Publication Activity Database

Mutombo, Pingo; Gubo, R.; Berkó, A.

2016-01-01

Roč. 120, č. 23 (2016), s. 12917-12923 ISSN 1932-7447 Institutional support: RVO:68378271 Keywords : DFT * wheel-TiO ~1.2 ultrathin film * template * TiO 2 (110) * Rh(111) * Au * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.536, year: 2016

Automatic Model Generation Framework for Computational Simulation of Cochlear Implantation

DEFF Research Database (Denmark)

Mangado Lopez, Nerea; Ceresa, Mario; Duchateau, Nicolas

2016-01-01

. To address such a challenge, we propose an automatic framework for the generation of patient-specific meshes for finite element modeling of the implanted cochlea. First, a statistical shape model is constructed from high-resolution anatomical μCT images. Then, by fitting the statistical model to a patient......'s CT image, an accurate model of the patient-specific cochlea anatomy is obtained. An algorithm based on the parallel transport frame is employed to perform the virtual insertion of the cochlear implant. Our automatic framework also incorporates the surrounding bone and nerve fibers and assigns......Recent developments in computational modeling of cochlear implantation are promising to study in silico the performance of the implant before surgery. However, creating a complete computational model of the patient's anatomy while including an external device geometry remains challenging...

A preliminary three-dimensional geological framework model for Yucca Mountain

International Nuclear Information System (INIS)

Stirewalt, G.L.; Henderson, D.B.

1995-01-01

A preliminary three-dimensional geological framework model has been developed for the potential high-level radioactive waste disposal site at Yucca Mountain. The model is based on field data and was constructed using EarthVision (Version 2.0) software. It provides the basic geological framework in which variations in geological parameters and features in and adjacent to the repository block can be illustrated and analyzed. With further refinement and modification of the model through incorporation of additional data, it can be used by Nuclear Regulatory Commission (NRC) staff to determine whether representation of subsurface geological features in Department of Energy models is reasonable. Consequently, NRC staff will be able to use the model during pre-licensing and licensing phases to assess models for analyses of site suitability, design considerations, and repository performance

A Framework of Finite-model Kalman Filter with Case Study: MVDP-FMKF Algorithm%A Framework of Finite-model Kalman Filter with Case Study:MVDP-FMKF Algorithm

Institute of Scientific and Technical Information of China (English)

FENG Bo; MA Hong-Bin; FU Meng-Yin; WANG Shun-Ting

2013-01-01

Kalman filtering techniques have been widely used in many applications,however,standard Kalman filters for linear Gaussian systems usually cannot work well or even diverge in the presence of large model uncertainty.In practical applications,it is expensive to have large number of high-cost experiments or even impossible to obtain an exact system model.Motivated by our previous pioneering work on finite-model adaptive control,a framework of finite-model Kalman filtering is introduced in this paper.This framework presumes that large model uncertainty may be restricted by a finite set of known models which can be very different from each other.Moreover,the number of known models in the set can be flexibly chosen so that the uncertain model may always be approximated by one of the known models,in other words,the large model uncertainty is "covered" by the "convex hull" of the known models.Within the presented framework according to the idea of adaptive switching via the minimizing vector distance principle,a simple finite-model Kalman filter,MVDP-FMKF,is mathematically formulated and illustrated by extensive simulations.An experiment of MEMS gyroscope drift has verified the effectiveness of the proposed algorithm,indicating that the mechanism of finite-model Kalman filter is useful and efficient in practical applications of Kalman filters,especially in inertial navigation systems.

Modeling sports highlights using a time-series clustering framework and model interpretation

Science.gov (United States)

Radhakrishnan, Regunathan; Otsuka, Isao; Xiong, Ziyou; Divakaran, Ajay

2005-01-01

In our past work on sports highlights extraction, we have shown the utility of detecting audience reaction using an audio classification framework. The audio classes in the framework were chosen based on intuition. In this paper, we present a systematic way of identifying the key audio classes for sports highlights extraction using a time series clustering framework. We treat the low-level audio features as a time series and model the highlight segments as "unusual" events in a background of an "usual" process. The set of audio classes to characterize the sports domain is then identified by analyzing the consistent patterns in each of the clusters output from the time series clustering framework. The distribution of features from the training data so obtained for each of the key audio classes, is parameterized by a Minimum Description Length Gaussian Mixture Model (MDL-GMM). We also interpret the meaning of each of the mixture components of the MDL-GMM for the key audio class (the "highlight" class) that is correlated with highlight moments. Our results show that the "highlight" class is a mixture of audience cheering and commentator's excited speech. Furthermore, we show that the precision-recall performance for highlights extraction based on this "highlight" class is better than that of our previous approach which uses only audience cheering as the key highlight class.

Thermally oxidized Inconel 600 and 690 nickel-based alloys characterizations by combination of global photoelectrochemistry and local near-field microscopy techniques (STM, STS, AFM, SKPFM)

Science.gov (United States)

Mechehoud, F.; Benaioun, N. E.; Hakiki, N. E.; Khelil, A.; Simon, L.; Bubendorff, J. L.

2018-03-01

Thermally oxidized nickel-based alloys are studied by scanning tunnelling microscopy (STM), scanning tunnelling spectroscopy (STS), atomic force microscopy (AFM), scanning kelvin probe force microscopy (SKPFM) and photoelectro-chemical techniques as a function of oxidation time at a fixed temperature of 623 K. By photoelectrochemistry measurements we identify the formation of three oxides NiO, Fe2O3, Cr2O3 and determine the corresponding gap values. We use these values as parameter for imaging the surface at high bias voltage by STM allowing the spatial localization and identification of both NiO, Fe2O3 oxide phases using STS measurements. Associated to Kelvin probe measurements we show also that STS allow to distinguished NiO from Cr2O3 and confirm that the Cr2O3 is not visible at the surface and localized at the oxide/steel interface.

Mediation Analysis in a Latent Growth Curve Modeling Framework

Science.gov (United States)

von Soest, Tilmann; Hagtvet, Knut A.

2011-01-01

This article presents several longitudinal mediation models in the framework of latent growth curve modeling and provides a detailed account of how such models can be constructed. Logical and statistical challenges that might arise when such analyses are conducted are also discussed. Specifically, we discuss how the initial status (intercept) and…

An Integrated Framework to Specify Domain-Specific Modeling Languages

DEFF Research Database (Denmark)

Zarrin, Bahram; Baumeister, Hubert

2018-01-01

, a logic-based specification language. The drawback of MS DSL Tools is it does not provide a formal and rigorous approach for semantics specifications. In this framework, we use Microsoft DSL Tools to define the metamodel and graphical notations of DSLs, and an extended version of ForSpec as a formal......In this paper, we propose an integrated framework that can be used by DSL designers to implement their desired graphical domain-specific languages. This framework relies on Microsoft DSL Tools, a meta-modeling framework to build graphical domain-specific languages, and an extension of ForSpec...... language to define their semantics. Integrating these technologies under the umbrella of Microsoft Visual Studio IDE allows DSL designers to utilize a single development environment for developing their desired domain-specific languages....

Unified and Modular Modeling and Functional Verification Framework of Real-Time Image Signal Processors

Directory of Open Access Journals (Sweden)

Abhishek Jain

2016-01-01

Full Text Available In VLSI industry, image signal processing algorithms are developed and evaluated using software models before implementation of RTL and firmware. After the finalization of the algorithm, software models are used as a golden reference model for the image signal processor (ISP RTL and firmware development. In this paper, we are describing the unified and modular modeling framework of image signal processing algorithms used for different applications such as ISP algorithms development, reference for hardware (HW implementation, reference for firmware (FW implementation, and bit-true certification. The universal verification methodology- (UVM- based functional verification framework of image signal processors using software reference models is described. Further, IP-XACT based tools for automatic generation of functional verification environment files and model map files are described. The proposed framework is developed both with host interface and with core using virtual register interface (VRI approach. This modeling and functional verification framework is used in real-time image signal processing applications including cellphone, smart cameras, and image compression. The main motivation behind this work is to propose the best efficient, reusable, and automated framework for modeling and verification of image signal processor (ISP designs. The proposed framework shows better results and significant improvement is observed in product verification time, verification cost, and quality of the designs.

Managing uncertainty in integrated environmental modelling: The UncertWeb framework.

NARCIS (Netherlands)

Bastin, L.; Cornford, D.; Jones, R.; Heuvelink, G.B.M.; Pebesma, E.; Stasch, C.; Nativi, S.; Mazzetti, P.

2013-01-01

Web-based distributed modelling architectures are gaining increasing recognition as potentially useful tools to build holistic environmental models, combining individual components in complex workflows. However, existing web-based modelling frameworks currently offer no support for managing

Strategic assessment of capacity consumption in railway networks: Framework and model

DEFF Research Database (Denmark)

Jensen, Lars Wittrup; Landex, Alex; Nielsen, Otto Anker

2017-01-01

In this paper, we develop a new framework for strategic planning purposes to calculate railway infrastructure occupation and capacity consumption in networks, independent of a timetable. Furthermore, a model implementing the framework is presented. In this model different train sequences...... are obtained efficiently with little input. The case illustrates the model's ability to quantify the capacity gain from infrastructure scenario to infrastructure scenario which can be used to increase the number of trains or improve the robustness of the system....

National culture and business model change: a framework for successful expansions

DEFF Research Database (Denmark)

Dalby, J.; Nielsen, L.S.; Lueg, Rainer

2014-01-01

Dalby, J., Nielsen, Lueg, R., L. S., Pedersen, L., Tomoni, A. C. 2014. National culture and business model change: a framework for successful expansions. Journal of Enterprising Culture, 22(4): 379-498.......Dalby, J., Nielsen, Lueg, R., L. S., Pedersen, L., Tomoni, A. C. 2014. National culture and business model change: a framework for successful expansions. Journal of Enterprising Culture, 22(4): 379-498....

XPS and STM study of the growth and structure of passive films in high temperature water on a nickel-base alloy

Energy Technology Data Exchange (ETDEWEB)

Machet, A.; Galtayries, A.; Zanna, S.; Klein, L.; Maurice, V.; Jolivet, P.; Foucault, M.; Combrade, P.; Scott, P.; Marcus, P

2004-09-15

The early stages of passivation in high temperature water of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS) and Scanning Tunneling Microscopy (STM). The samples (polycrystal Ni-16Cr-9Fe (wt. %) and single crystal Ni-17Cr-7Fe (1 1 1)) have been exposed for short time periods (0.4-8.2 min) to high temperature (325 deg. C) and high pressure water, under controlled hydrogen pressure, in a microautoclave designed to transfer the samples from and to the XPS spectrometer without air exposure. In the early stages of oxidation of the alloy (0.4-4 min), an ultra-thin oxide layer (about 1 nm) is formed, which consists of chromium oxide (Cr{sub 2}O{sub 3}), according to the Cr 2p{sub 3/2} core level spectrum. An outer layer of Cr(OH){sub 3} with a very small amount of Ni(OH){sub 2} is also revealed by the Cr 2p{sub 3/2}, Ni 2p{sub 3/2}, and O 1s core level spectra. At this early stage, there is a temporary blocking of the growth of Cr{sub 2}O{sub 3}. For longer exposures (4-8 min), the Cr{sub 2}O{sub 3} inner layer becomes thicker, at the expense of the outer Cr(OH){sub 3} layer. This implies the transport of Cr and Ni through the oxide layer, and release of Ni{sup 2+} in the solution. The structure of the ultra-thin oxide film formed on a single crystal Ni-17Cr-7Fe(1 1 1) alloy was analysed by STM in the constant current mode; STM images reveal that, in the early stages of oxidation, the oxide is crystalline, and the observed structure is consistent with the hexagonal structure of the oxygen sub-lattice in the basal plane (0 0 0 1) of {alpha}-Cr{sub 2}O{sub 3}.

Thermomyces lanuginosus STm: a source of thermostable hydrolytic enzymes for novel application in extraction of high-quality natural rubber from Taraxacum kok-saghyz (rubber dandelion)

Science.gov (United States)

Hydrolytic enzymes from a newly isolated strain of the thermophilic fungus Thermomyces lanuginosus were used to extract rubber from Taraxacum kok-saghyz commonly known as rubber (or Russian or Kazak(h)) dandelion. The fungus was isolated from garden soil and identified as Thermomyces lanuginosus STm...

Advancing Integrated Systems Modelling Framework for Life Cycle Sustainability Assessment

Directory of Open Access Journals (Sweden)

Anthony Halog

2011-02-01

Full Text Available The need for integrated methodological framework for sustainability assessment has been widely discussed and is urgent due to increasingly complex environmental system problems. These problems have impacts on ecosystems and human well-being which represent a threat to economic performance of countries and corporations. Integrated assessment crosses issues; spans spatial and temporal scales; looks forward and backward; and incorporates multi-stakeholder inputs. This study aims to develop an integrated methodology by capitalizing the complementary strengths of different methods used by industrial ecologists and biophysical economists. The computational methodology proposed here is systems perspective, integrative, and holistic approach for sustainability assessment which attempts to link basic science and technology to policy formulation. The framework adopts life cycle thinking methods—LCA, LCC, and SLCA; stakeholders analysis supported by multi-criteria decision analysis (MCDA; and dynamic system modelling. Following Pareto principle, the critical sustainability criteria, indicators and metrics (i.e., hotspots can be identified and further modelled using system dynamics or agent based modelling and improved by data envelopment analysis (DEA and sustainability network theory (SNT. The framework is being applied to development of biofuel supply chain networks. The framework can provide new ways of integrating knowledge across the divides between social and natural sciences as well as between critical and problem-solving research.

The ACTIVE conceptual framework as a structural equation model

Science.gov (United States)

Gross, Alden L.; Payne, Brennan R.; Casanova, Ramon; Davoudzadeh, Pega; Dzierzewski, Joseph M.; Farias, Sarah; Giovannetti, Tania; Ip, Edward H.; Marsiske, Michael; Rebok, George W.; Schaie, K. Warner; Thomas, Kelsey; Willis, Sherry; Jones, Richard N.

2018-01-01

Background/Study Context Conceptual frameworks are analytic models at a high level of abstraction. Their operationalization can inform randomized trial design and sample size considerations. Methods The Advanced Cognitive Training for Independent and Vital Elderly (ACTIVE) conceptual framework was empirically tested using structural equation modeling (N=2,802). ACTIVE was guided by a conceptual framework for cognitive training in which proximal cognitive abilities (memory, inductive reasoning, speed of processing) mediate treatment-related improvement in primary outcomes (everyday problem-solving, difficulty with activities of daily living, everyday speed, driving difficulty), which in turn lead to improved secondary outcomes (health-related quality of life, health service utilization, mobility). Measurement models for each proximal, primary, and secondary outcome were developed and tested using baseline data. Each construct was then combined in one model to evaluate fit (RMSEA, CFI, normalized residuals of each indicator). To expand the conceptual model and potentially inform future trials, evidence of modification of structural model parameters was evaluated by age, years of education, sex, race, and self-rated health status. Results Preconceived measurement models for memory, reasoning, speed of processing, everyday problem-solving, instrumental activities of daily living (IADL) difficulty, everyday speed, driving difficulty, and health-related quality of life each fit well to the data (all RMSEA .95). Fit of the full model was excellent (RMSEA = .038; CFI = .924). In contrast with previous findings from ACTIVE regarding who benefits from training, interaction testing revealed associations between proximal abilities and primary outcomes are stronger on average by nonwhite race, worse health, older age, and less education (p conceptual model. Findings suggest that the types of people who show intervention effects on cognitive performance potentially may be

The ACTIVE conceptual framework as a structural equation model.

Science.gov (United States)

Gross, Alden L; Payne, Brennan R; Casanova, Ramon; Davoudzadeh, Pega; Dzierzewski, Joseph M; Farias, Sarah; Giovannetti, Tania; Ip, Edward H; Marsiske, Michael; Rebok, George W; Schaie, K Warner; Thomas, Kelsey; Willis, Sherry; Jones, Richard N

2018-01-01

Background/Study Context: Conceptual frameworks are analytic models at a high level of abstraction. Their operationalization can inform randomized trial design and sample size considerations. The Advanced Cognitive Training for Independent and Vital Elderly (ACTIVE) conceptual framework was empirically tested using structural equation modeling (N=2,802). ACTIVE was guided by a conceptual framework for cognitive training in which proximal cognitive abilities (memory, inductive reasoning, speed of processing) mediate treatment-related improvement in primary outcomes (everyday problem-solving, difficulty with activities of daily living, everyday speed, driving difficulty), which in turn lead to improved secondary outcomes (health-related quality of life, health service utilization, mobility). Measurement models for each proximal, primary, and secondary outcome were developed and tested using baseline data. Each construct was then combined in one model to evaluate fit (RMSEA, CFI, normalized residuals of each indicator). To expand the conceptual model and potentially inform future trials, evidence of modification of structural model parameters was evaluated by age, years of education, sex, race, and self-rated health status. Preconceived measurement models for memory, reasoning, speed of processing, everyday problem-solving, instrumental activities of daily living (IADL) difficulty, everyday speed, driving difficulty, and health-related quality of life each fit well to the data (all RMSEA .95). Fit of the full model was excellent (RMSEA = .038; CFI = .924). In contrast with previous findings from ACTIVE regarding who benefits from training, interaction testing revealed associations between proximal abilities and primary outcomes are stronger on average by nonwhite race, worse health, older age, and less education (p conceptual model. Findings suggest that the types of people who show intervention effects on cognitive performance potentially may be different from

Exploring uncertainty and model predictive performance concepts via a modular snowmelt-runoff modeling framework

Science.gov (United States)

Tyler Jon Smith; Lucy Amanda Marshall

2010-01-01

Model selection is an extremely important aspect of many hydrologic modeling studies because of the complexity, variability, and uncertainty that surrounds the current understanding of watershed-scale systems. However, development and implementation of a complete precipitation-runoff modeling framework, from model selection to calibration and uncertainty analysis, are...

Formulation, construction and analysis of kinetic models of metabolism: A review of modelling frameworks

DEFF Research Database (Denmark)

Saa, Pedro A.; Nielsen, Lars K.

2017-01-01

Kinetic models are critical to predict the dynamic behaviour of metabolic networks. Mechanistic kinetic models for large networks remain uncommon due to the difficulty of fitting their parameters. Recent modelling frameworks promise new ways to overcome this obstacle while retaining predictive ca...

Model-Driven Policy Framework for Data Centers

DEFF Research Database (Denmark)

Caba, Cosmin Marius; Kentis, Angelos Mimidis; Soler, José

2016-01-01

. Moreover, the lack of simple solutions for managing the configuration and behavior of the DC components makes the DC hard to configure and slow in adapting to changes in business needs. In this paper, we propose a model-driven framework for policy-based management for DCs, to simplify not only the service...

Airline Sustainability Modeling: A New Framework with Application of Bayesian Structural Equation Modeling

DEFF Research Database (Denmark)

Salarzadeh Jenatabadi, Hashem; Babashamsi, Peyman; Khajeheian, Datis

2016-01-01

There are many factors which could influence the sustainability of airlines. The main purpose of this study is to introduce a framework for a financial sustainability index and model it based on structural equation modeling (SEM) with maximum likelihood and Bayesian predictors. The introduced...

A framework for modeling scenario-based barrier island storm impacts

Science.gov (United States)

Mickey, Rangley; Long, Joseph W.; Dalyander, P. Soupy; Plant, Nathaniel G.; Thompson, David M.

2018-01-01

Methods for investigating the vulnerability of existing or proposed coastal features to storm impacts often rely on simplified parametric models or one-dimensional process-based modeling studies that focus on changes to a profile across a dune or barrier island. These simple studies tend to neglect the impacts to curvilinear or alongshore varying island planforms, influence of non-uniform nearshore hydrodynamics and sediment transport, irregular morphology of the offshore bathymetry, and impacts from low magnitude wave events (e.g. cold fronts). Presented here is a framework for simulating regionally specific, low and high magnitude scenario-based storm impacts to assess the alongshore variable vulnerabilities of a coastal feature. Storm scenarios based on historic hydrodynamic conditions were derived and simulated using the process-based morphologic evolution model XBeach. Model results show that the scenarios predicted similar patterns of erosion and overwash when compared to observed qualitative morphologic changes from recent storm events that were not included in the dataset used to build the scenarios. The framework model simulations were capable of predicting specific areas of vulnerability in the existing feature and the results illustrate how this storm vulnerability simulation framework could be used as a tool to help inform the decision-making process for scientists, engineers, and stakeholders involved in coastal zone management or restoration projects.

Integrating knowledge seeking into knowledge management models and frameworks

Directory of Open Access Journals (Sweden)

Francois Lottering

2012-02-01

Full Text Available Background: A striking feature of the knowledge management (KM literature is that the standard list of KM processes either subsumes or overlooks the process of knowledge seeking. Knowledge seeking is manifestly under-theorised, making the need to address this gap in KM theory and practice clear and urgent.Objectives: This article investigates the theoretical status of the knowledge-seeking process in extant KM models and frameworks. It also statistically describes knowledge seeking and knowledge sharing practices in a sample of South African companies. Using this data, it proposes a KM model based on knowledge seeking.Method: Knowledge seeking is traced in a number of KM models and frameworks with a specific focus on Han Lai and Margaret Graham’s adapted KM cycle model, which separates knowledge seeking from knowledge sharing. This empirical investigation used a questionnaire to examine knowledge seeking and knowledge sharing practices in a sample of South African companies.Results: This article critiqued and elaborated on the adapted KM cycle model of Lai and Graham. It identified some of the key features of knowledge seeking practices in the workplace. It showed that knowledge seeking and sharing are human-centric actions and that seeking knowledge uses trust and loyalty as its basis. It also showed that one cannot separate knowledge seeking from knowledge sharing.Conclusion: The knowledge seeking-based KM model elaborates on Lai and Graham’s model. It provides insight into how and where people seek and share knowledge in the workplace. The article concludes that it is necessary to cement the place of knowledge seeking in KM models as well as frameworks and suggests that organisations should apply its findings to improving their knowledge management strategies. 

A discrete-time Bayesian network reliability modeling and analysis framework

International Nuclear Information System (INIS)

Boudali, H.; Dugan, J.B.

2005-01-01

Dependability tools are becoming an indispensable tool for modeling and analyzing (critical) systems. However the growing complexity of such systems calls for increasing sophistication of these tools. Dependability tools need to not only capture the complex dynamic behavior of the system components, but they must be also easy to use, intuitive, and computationally efficient. In general, current tools have a number of shortcomings including lack of modeling power, incapacity to efficiently handle general component failure distributions, and ineffectiveness in solving large models that exhibit complex dependencies between their components. We propose a novel reliability modeling and analysis framework based on the Bayesian network (BN) formalism. The overall approach is to investigate timed Bayesian networks and to find a suitable reliability framework for dynamic systems. We have applied our methodology to two example systems and preliminary results are promising. We have defined a discrete-time BN reliability formalism and demonstrated its capabilities from a modeling and analysis point of view. This research shows that a BN based reliability formalism is a powerful potential solution to modeling and analyzing various kinds of system components behaviors and interactions. Moreover, being based on the BN formalism, the framework is easy to use and intuitive for non-experts, and provides a basis for more advanced and useful analyses such as system diagnosis

Supporting SME Collecting Organisations: A Business Model Framework for Digital Heritage Collections

Directory of Open Access Journals (Sweden)

Darren Peacock

2009-08-01

Full Text Available Increasing numbers of heritage collecting organisations such as archives, galleries, libraries and museums are moving towards the provision of digital content and services based on the collections they hold. The collections sector in Australia is characterised by a diverse range of often very small organisations, many of which are struggling with the transition to digital service delivery. One major reason for this struggle is the lack of suitable underlying business models for these organisations as they attempt to achieve a sustainable digital presence. The diverse characteristics of organisations within the collections sector make it difficult, if not impossible, to identify a single business model suitable for all organisations. We argue in this paper that the development of a flexible e-business model framework is a more useful strategy for achieving this goal. This paper presents a preliminary framework based on the literature, utilising the Core + Complement (C+ Business Model Framework for Content Providers initially developed by Krueger et al. (2003 and outlines how the framework will be refined and investigated empirically in future research within the Australian collections sector.

A Framework for Relating Timed Transition Systems and Preserving TCTL Model Checking

DEFF Research Database (Denmark)

Jacobsen, Lasse; Jacobsen, Morten; Møller, Mikael Harkjær

2010-01-01

Many formal translations between time dependent models have been proposed over the years. While some of them produce timed bisimilar models, others preserve only reachability or (weak) trace equivalence. We suggest a general framework for arguing when a translation preserves Timed Computation Tree...... Logic (TCTL) or its safety fragment.The framework works at the level of timed transition systems, making it independent of the modeling formalisms and applicable to many of the translations published in the literature. Finally, we present a novel translation from extended Timed-Arc Petri Nets...... to Networks of Timed Automata and using the framework argue that itpreserves the full TCTL. The translation has been implemented in the verification tool TAPAAL....

Towards a Framework for Modelling and Verification of Relay Interlocking Systems

DEFF Research Database (Denmark)

Haxthausen, Anne Elisabeth

2011-01-01

This paper describes a framework currently under development for modelling, simulation, and verification of relay interlocking systems as used by the Danish railways. The framework is centred around a domain-specific language (DSL) for describing such systems, and provides (1) a graphical editor...

Towards a Framework for Modelling and Verification of Relay Interlocking Systems

DEFF Research Database (Denmark)

Haxthausen, Anne Elisabeth

2010-01-01

This paper describes a framework currently under development for modelling, simulation, and verification of relay interlocking systems as used by the Danish railways. The framework is centred around a domain-specific language (DSL) for describing such systems, and provides (1) a graphical editor ...

An Integrated Hydro-Economic Modelling Framework to Evaluate Water Allocation Strategies I: Model Development.

NARCIS (Netherlands)

George, B.; Malano, H.; Davidson, B.; Hellegers, P.; Bharati, L.; Sylvain, M.

2011-01-01

In this paper an integrated modelling framework for water resources planning and management that can be used to carry out an analysis of alternative policy scenarios for water allocation and use is described. The modelling approach is based on integrating a network allocation model (REALM) and a

A Liver-centric Multiscale Modeling Framework for Xenobiotics

Science.gov (United States)

We describe a multi-scale framework for modeling acetaminophen-induced liver toxicity. Acetaminophen is a widely used analgesic. Overdose of acetaminophen can result in liver injury via its biotransformation into toxic product, which further induce massive necrosis. Our study foc...

A unified framework for benchmark dose estimation applied to mixed models and model averaging

DEFF Research Database (Denmark)

Ritz, Christian; Gerhard, Daniel; Hothorn, Ludwig A.

2013-01-01

for hierarchical data structures, reflecting increasingly common types of assay data. We illustrate the usefulness of the methodology by means of a cytotoxicology example where the sensitivity of two types of assays are evaluated and compared. By means of a simulation study, we show that the proposed framework......This article develops a framework for benchmark dose estimation that allows intrinsically nonlinear dose-response models to be used for continuous data in much the same way as is already possible for quantal data. This means that the same dose-response model equations may be applied to both...

Design of a Model Execution Framework: Repetitive Object-Oriented Simulation Environment (ROSE)

Science.gov (United States)

Gray, Justin S.; Briggs, Jeffery L.

2008-01-01

The ROSE framework was designed to facilitate complex system analyses. It completely divorces the model execution process from the model itself. By doing so ROSE frees the modeler to develop a library of standard modeling processes such as Design of Experiments, optimizers, parameter studies, and sensitivity studies which can then be applied to any of their available models. The ROSE framework accomplishes this by means of a well defined API and object structure. Both the API and object structure are presented here with enough detail to implement ROSE in any object-oriented language or modeling tool.

Constructing rule-based models using the belief functions framework

NARCIS (Netherlands)

Almeida, R.J.; Denoeux, T.; Kaymak, U.; Greco, S.; Bouchon-Meunier, B.; Coletti, G.; Fedrizzi, M.; Matarazzo, B.; Yager, R.R.

2012-01-01

Abstract. We study a new approach to regression analysis. We propose a new rule-based regression model using the theoretical framework of belief functions. For this purpose we use the recently proposed Evidential c-means (ECM) to derive rule-based models solely from data. ECM allocates, for each

A Framework Proposal For Choosing A New Business Implementation Model In Henkel

OpenAIRE

Li, Tsz Wan

2015-01-01

Henkel's New Business team is a corporate venturing unit that explores corporate entrepreneurial activities on behalf of Henkel Adhesives Technologies. The new business ideas are implemented through one of these models: incubator, venturing or innovation ecosystem. In current practice, there is no systematic framework in place to choose the implementation model. The goal of the thesis is to propose a framework for choosing the most appropriate model for implementation of a new business idea i...

Oxygen vacancies on TiO2(110) and their interaction with H2O and O2: A combined high-resolution STM and DFT study

DEFF Research Database (Denmark)

Wendt, Stefan; Schaub, Renald; Matthiesen, Jesper

2005-01-01

From an interplay between high-resolution scanning tunneling microscopy (STM) and density functional theory (DFT) we discuss the origin of various point defects on reduced rutile TiO2(110)–(1 × 1) surfaces. By means of adsorption and desorption experiments using water and oxygen as probe molecules...

Model-based version management system framework

International Nuclear Information System (INIS)

Mehmood, W.

2016-01-01

In this paper we present a model-based version management system. Version Management System (VMS) a branch of software configuration management (SCM) aims to provide a controlling mechanism for evolution of software artifacts created during software development process. Controlling the evolution requires many activities to perform, such as, construction and creation of versions, identification of differences between versions, conflict detection and merging. Traditional VMS systems are file-based and consider software systems as a set of text files. File based VMS systems are not adequate for performing software configuration management activities such as, version control on software artifacts produced in earlier phases of the software life cycle. New challenges of model differencing, merge, and evolution control arise while using models as central artifact. The goal of this work is to present a generic framework model-based VMS which can be used to overcome the problem of tradition file-based VMS systems and provide model versioning services. (author)

A Framework for PSS Business Models: Formalization and Application

OpenAIRE

Adrodegari, Federico; Saccani, Nicola; Kowalkowski, Christian

2016-01-01

In order to successfully move "from products to solutions", companies need to redesign their business model. Nevertheless, service oriented BMs in product-centric firms are under-investigated in the literature: very few works develop a scheme of analysis of such BMs. To provide a first step into closing this gap, we propose a new framework to describe service-oriented BMs, pointing out the main BM components and related PSS characteristics. Thus, the proposed framework aims to help companies ...

Ultrahigh vacuum STM/STS studies of the Bi-O surface in Bi2Sr2CuOy single crystals

International Nuclear Information System (INIS)

Ikeda, Kazuto; Tomeno, Izumi; Takamuku, Kenshi; Yamaguchi, Koji; Itti, Rittaporn; Koshizuka, Naoki

1992-01-01

Scanning tunneling microscopic and spectroscopic studies were made on cleaved surfaces of Bi 2 Sr 2 CuO y single crystals using an ultrahigh-vacuum scanning tunneling microscope (UHV-STM). The modulation structures of the Bi-O surface were observed at room temperature with atomic resolution. The tunneling spectra showed electronic gap structures similar to those observed for the Bi-O surface of superconducting Bi-2212 single crystals. This suggests that superconductivity is not directly related to the electronic structure observed in the Bi-O plane. (orig.)

A generic framework for individual-based modelling and physical-biological interaction

DEFF Research Database (Denmark)

Christensen, Asbjørn; Mariani, Patrizio; Payne, Mark R.

2018-01-01

The increased availability of high-resolution ocean data globally has enabled more detailed analyses of physical-biological interactions and their consequences to the ecosystem. We present IBMlib, which is a versatile, portable and computationally effective framework for conducting Lagrangian...... scales. The open-source framework features a minimal robust interface to facilitate the coupling between individual-level biological models and oceanographic models, and we provide application examples including forward/backward simulations, habitat connectivity calculations, assessing ocean conditions...

A framework for testing and comparing binaural models.

Science.gov (United States)

Dietz, Mathias; Lestang, Jean-Hugues; Majdak, Piotr; Stern, Richard M; Marquardt, Torsten; Ewert, Stephan D; Hartmann, William M; Goodman, Dan F M

2018-03-01

Auditory research has a rich history of combining experimental evidence with computational simulations of auditory processing in order to deepen our theoretical understanding of how sound is processed in the ears and in the brain. Despite significant progress in the amount of detail and breadth covered by auditory models, for many components of the auditory pathway there are still different model approaches that are often not equivalent but rather in conflict with each other. Similarly, some experimental studies yield conflicting results which has led to controversies. This can be best resolved by a systematic comparison of multiple experimental data sets and model approaches. Binaural processing is a prominent example of how the development of quantitative theories can advance our understanding of the phenomena, but there remain several unresolved questions for which competing model approaches exist. This article discusses a number of current unresolved or disputed issues in binaural modelling, as well as some of the significant challenges in comparing binaural models with each other and with the experimental data. We introduce an auditory model framework, which we believe can become a useful infrastructure for resolving some of the current controversies. It operates models over the same paradigms that are used experimentally. The core of the proposed framework is an interface that connects three components irrespective of their underlying programming language: The experiment software, an auditory pathway model, and task-dependent decision stages called artificial observers that provide the same output format as the test subject. Copyright © 2017 Elsevier B.V. All rights reserved.

Progressive Learning of Topic Modeling Parameters: A Visual Analytics Framework.

Science.gov (United States)

El-Assady, Mennatallah; Sevastjanova, Rita; Sperrle, Fabian; Keim, Daniel; Collins, Christopher

2018-01-01

Topic modeling algorithms are widely used to analyze the thematic composition of text corpora but remain difficult to interpret and adjust. Addressing these limitations, we present a modular visual analytics framework, tackling the understandability and adaptability of topic models through a user-driven reinforcement learning process which does not require a deep understanding of the underlying topic modeling algorithms. Given a document corpus, our approach initializes two algorithm configurations based on a parameter space analysis that enhances document separability. We abstract the model complexity in an interactive visual workspace for exploring the automatic matching results of two models, investigating topic summaries, analyzing parameter distributions, and reviewing documents. The main contribution of our work is an iterative decision-making technique in which users provide a document-based relevance feedback that allows the framework to converge to a user-endorsed topic distribution. We also report feedback from a two-stage study which shows that our technique results in topic model quality improvements on two independent measures.

Theoretical model estimation of guest diffusion in Metal-Organic Frameworks (MOFs)

KAUST Repository

Zheng, Bin

2015-08-11

Characterizing molecule diffusion in nanoporous matrices is critical to understanding the novel chemical and physical properties of metal-organic frameworks (MOFs). In this paper, we developed a theoretical model to fastly and accurately compute the diffusion rate of guest molecules in a zeolitic imidazolate framework-8 (ZIF-8). The ideal gas or equilibrium solution diffusion model was modified to contain the effect of periodical media via introducing the possibility of guests passing through the framework gate. The only input in our model is the energy barrier of guests passing through the MOF’s gate. Molecular dynamics (MD) methods were employed to gather the guest density profile, which then was used to deduce the energy barrier values. This produced reliable results that require a simulation time of 5 picoseconds, which is much shorter when using pure MD methods (in the billisecond scale) . Also, we used density functional theory (DFT) methods to obtain the energy profile of guests passing through gates, as this does not require specification of a force field for the MOF degrees of freedom. In the DFT calculation, we only considered one gate of MOFs each time; as this greatly reduced the computational cost. Based on the obtained energy barrier values we computed the diffusion rate of alkane and alcohol in ZIF-8 using our model, which was in good agreement with experimental test results and the calculation values from standard MD model. Our model shows the advantage of obtaining accurate diffusion rates for guests in MOFs for a lower computational cost and shorter calculation time. Thus, our analytic model calculation is especially attractive for high-throughput computational screening of the dynamic performance of guests in a framework.

An Integrated Qualitative and Quantitative Biochemical Model Learning Framework Using Evolutionary Strategy and Simulated Annealing.

Science.gov (United States)

Wu, Zujian; Pang, Wei; Coghill, George M

2015-01-01

Both qualitative and quantitative model learning frameworks for biochemical systems have been studied in computational systems biology. In this research, after introducing two forms of pre-defined component patterns to represent biochemical models, we propose an integrative qualitative and quantitative modelling framework for inferring biochemical systems. In the proposed framework, interactions between reactants in the candidate models for a target biochemical system are evolved and eventually identified by the application of a qualitative model learning approach with an evolution strategy. Kinetic rates of the models generated from qualitative model learning are then further optimised by employing a quantitative approach with simulated annealing. Experimental results indicate that our proposed integrative framework is feasible to learn the relationships between biochemical reactants qualitatively and to make the model replicate the behaviours of the target system by optimising the kinetic rates quantitatively. Moreover, potential reactants of a target biochemical system can be discovered by hypothesising complex reactants in the synthetic models. Based on the biochemical models learned from the proposed framework, biologists can further perform experimental study in wet laboratory. In this way, natural biochemical systems can be better understood.

Model-based safety architecture framework for complex systems

NARCIS (Netherlands)

Schuitemaker, Katja; Rajabali Nejad, Mohammadreza; Braakhuis, J.G.; Podofillini, Luca; Sudret, Bruno; Stojadinovic, Bozidar; Zio, Enrico; Kröger, Wolfgang

2015-01-01

The shift to transparency and rising need of the general public for safety, together with the increasing complexity and interdisciplinarity of modern safety-critical Systems of Systems (SoS) have resulted in a Model-Based Safety Architecture Framework (MBSAF) for capturing and sharing architectural

Theory of high-resolution tunneling spin transport on a magnetic skyrmion

Science.gov (United States)

Palotás, Krisztián; Rózsa, Levente; Szunyogh, László

2018-05-01

Tunneling spin transport characteristics of a magnetic skyrmion are described theoretically in magnetic scanning tunneling microscopy (STM). The spin-polarized charge current in STM (SP-STM) and tunneling spin transport vector quantities, the longitudinal spin current and the spin transfer torque, are calculated in high spatial resolution within the same theoretical framework. A connection between the conventional charge current SP-STM image contrasts and the magnitudes of the spin transport vectors is demonstrated that enables the estimation of tunneling spin transport properties based on experimentally measured SP-STM images. A considerable tunability of the spin transport vectors by the involved spin polarizations is also highlighted. These possibilities and the combined theory of tunneling charge and vector spin transport pave the way for gaining deep insight into electric-current-induced tunneling spin transport properties in SP-STM and to the related dynamics of complex magnetic textures at surfaces.

Theories, models and frameworks used in capacity building interventions relevant to public health: a systematic review.

Science.gov (United States)

Bergeron, Kim; Abdi, Samiya; DeCorby, Kara; Mensah, Gloria; Rempel, Benjamin; Manson, Heather

2017-11-28

There is limited research on capacity building interventions that include theoretical foundations. The purpose of this systematic review is to identify underlying theories, models and frameworks used to support capacity building interventions relevant to public health practice. The aim is to inform and improve capacity building practices and services offered by public health organizations. Four search strategies were used: 1) electronic database searching; 2) reference lists of included papers; 3) key informant consultation; and 4) grey literature searching. Inclusion and exclusion criteria are outlined with included papers focusing on capacity building, learning plans, professional development plans in combination with tools, resources, processes, procedures, steps, model, framework, guideline, described in a public health or healthcare setting, or non-government, government, or community organizations as they relate to healthcare, and explicitly or implicitly mention a theory, model and/or framework that grounds the type of capacity building approach developed. Quality assessment were performed on all included articles. Data analysis included a process for synthesizing, analyzing and presenting descriptive summaries, categorizing theoretical foundations according to which theory, model and/or framework was used and whether or not the theory, model or framework was implied or explicitly identified. Nineteen articles were included in this review. A total of 28 theories, models and frameworks were identified. Of this number, two theories (Diffusion of Innovations and Transformational Learning), two models (Ecological and Interactive Systems Framework for Dissemination and Implementation) and one framework (Bloom's Taxonomy of Learning) were identified as the most frequently cited. This review identifies specific theories, models and frameworks to support capacity building interventions relevant to public health organizations. It provides public health practitioners

Atom-resolved surface chemistry using scanning tunneling microscopy (STM) and spectroscopy (STS)

International Nuclear Information System (INIS)

Avouris, P.

1989-01-01

The author shows that by using STM and STS one can study chemistry with atomic resolution. The author uses two examples: the reaction of Si(111)-(7x7) with (a) NH 3 and (b) decaborane (DB). In case (a) the authors can directly observe the spatial distribution of the reaction. He determined which surface atoms have reacted and how the products of the reaction are distributed. He found that the different dangling-bond sites have significantly different reactivities and explain these differences in terms of the local electronic structure. In case (b) the 7x7 reconstruction is eliminated and at high temperatures, (√3 x √3) R30 degree reconstructions are observed. Depending on the amount of DB and the annealing temperature the √3 structures contain variable numbers of B and Si adatoms on T 4 -sites. Calculations show that the structure involving B adatoms, although kinetically favored, is not the lowest energy configuration. The lowest energy state involves B in a substitutional site under a Si adatom

Direct formation of a polyamide on Ag(111): Joint XPS and STM studies

Energy Technology Data Exchange (ETDEWEB)

Schmid, Martin; Steinrueck, Hans-Peter; Gottfried, J. Michael [Lehrstuhl fuer Physikalische Chemie II, Universitaet Erlangen-Nuernberg (Germany); Schmitz, Christoph H.; Ikonomov, Julian; Sokolowski, Moritz [Institut fuer Physikalische und Theoretische Chemie, Universitaet Bonn (Germany)

2011-07-01

The polymer poly(p-phenylene terephthalamide) (PPTA) was synthesized on Ag(111) by co-adsorption of the reactive monomer compounds terephthaloyl chloride (TPC) and p-phenylenediamine (PPD) at 300 K. The resulting adsorbate phases were characterised by photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM). A detailed study of the chemical composition and morphology revealed a complex reaction mechanism, by which the formation of amide bonds leads to folded PPTA polymer chains. According to XPS, the chloride of the TPC precursor is not released as HCl as in the bulk reaction, but remains on the surface as chemisorbed Cl or AgCl. Further temperature-programmed XPS studies of pure TPC on Ag(111) reveal that the molecule decomposes already above 130 K, forming chemisorbed Cl (or AgCl) and a phenylene-dicarbonyl species, which is presumably stabilized by the substrate. The adsorbed chlorine partially desorbs above 800 K as molecular AgCl.

Theories and Frameworks for Online Education: Seeking an Integrated Model

Science.gov (United States)

Picciano, Anthony G.

2017-01-01

This article examines theoretical frameworks and models that focus on the pedagogical aspects of online education. After a review of learning theory as applied to online education, a proposal for an integrated "Multimodal Model for Online Education" is provided based on pedagogical purpose. The model attempts to integrate the work of…

A Framework for Sharing and Integrating Remote Sensing and GIS Models Based on Web Service

Science.gov (United States)

Chen, Zeqiang; Lin, Hui; Chen, Min; Liu, Deer; Bao, Ying; Ding, Yulin

2014-01-01

Sharing and integrating Remote Sensing (RS) and Geographic Information System/Science (GIS) models are critical for developing practical application systems. Facilitating model sharing and model integration is a problem for model publishers and model users, respectively. To address this problem, a framework based on a Web service for sharing and integrating RS and GIS models is proposed in this paper. The fundamental idea of the framework is to publish heterogeneous RS and GIS models into standard Web services for sharing and interoperation and then to integrate the RS and GIS models using Web services. For the former, a “black box” and a visual method are employed to facilitate the publishing of the models as Web services. For the latter, model integration based on the geospatial workflow and semantic supported marching method is introduced. Under this framework, model sharing and integration is applied for developing the Pearl River Delta water environment monitoring system. The results show that the framework can facilitate model sharing and model integration for model publishers and model users. PMID:24901016

A framework for sharing and integrating remote sensing and GIS models based on Web service.

Science.gov (United States)

Chen, Zeqiang; Lin, Hui; Chen, Min; Liu, Deer; Bao, Ying; Ding, Yulin

2014-01-01

Sharing and integrating Remote Sensing (RS) and Geographic Information System/Science (GIS) models are critical for developing practical application systems. Facilitating model sharing and model integration is a problem for model publishers and model users, respectively. To address this problem, a framework based on a Web service for sharing and integrating RS and GIS models is proposed in this paper. The fundamental idea of the framework is to publish heterogeneous RS and GIS models into standard Web services for sharing and interoperation and then to integrate the RS and GIS models using Web services. For the former, a "black box" and a visual method are employed to facilitate the publishing of the models as Web services. For the latter, model integration based on the geospatial workflow and semantic supported marching method is introduced. Under this framework, model sharing and integration is applied for developing the Pearl River Delta water environment monitoring system. The results show that the framework can facilitate model sharing and model integration for model publishers and model users.

Family Environment and Childhood Obesity: A New Framework with Structural Equation Modeling

Directory of Open Access Journals (Sweden)

Hui Huang

2017-02-01

Full Text Available The main purpose of the current article is to introduce a framework of the complexity of childhood obesity based on the family environment. A conceptual model that quantifies the relationships and interactions among parental socioeconomic status, family food security level, child’s food intake and certain aspects of parental feeding behaviour is presented using the structural equation modeling (SEM concept. Structural models are analysed in terms of the direct and indirect connections among latent and measurement variables that lead to the child weight indicator. To illustrate the accuracy, fit, reliability and validity of the introduced framework, real data collected from 630 families from Urumqi (Xinjiang, China were considered. The framework includes two categories of data comprising the normal body mass index (BMI range and obesity data. The comparison analysis between two models provides some evidence that in obesity modeling, obesity data must be extracted from the dataset and analysis must be done separately from the normal BMI range. This study may be helpful for researchers interested in childhood obesity modeling based on family environment.

Modelling Supported Driving as an Optimal Control Cycle : Framework and Model Characteristics

NARCIS (Netherlands)

Wang, M.; Treiber, M.; Daamen, W.; Hoogendoorn, S.P.; Van Arem, B.

2013-01-01

Driver assistance systems support drivers in operating vehicles in a safe, comfortable and efficient way, and thus may induce changes in traffic flow characteristics. This paper puts forward a receding horizon control framework to model driver assistance and cooperative systems. The accelerations of

Parametric design and analysis framework with integrated dynamic models

DEFF Research Database (Denmark)

Negendahl, Kristoffer

2014-01-01

of building energy and indoor environment, are generally confined to late in the design process. Consequence based design is a framework intended for the early design stage. It involves interdisciplinary expertise that secures validity and quality assurance with a simulationist while sustaining autonomous...... control with the building designer. Consequence based design is defined by the specific use of integrated dynamic modeling, which includes the parametric capabilities of a scripting tool and building simulation features of a building performance simulation tool. The framework can lead to enhanced...

Synthesis, electrochemistry, STM investigation of oligothiophene self-assemblies with superior structural order and electronic properties

Energy Technology Data Exchange (ETDEWEB)

Kuo, Cheng-Yu [C-PCS, Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Liu, Yinghao; Yarotski, Dmitry [Center of Integrated Nanotechnologies, Materials Physics and Application Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Li, Hao [Theory Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Xu, Ping; Yen, Hung-Ju [C-PCS, Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theory Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wang, Hsing-Lin, E-mail: hwang@lanl.gov [C-PCS, Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2016-12-20

Graphical abstract: STM imaging reveals differently oriented domains of self-assembled tetrathiophene molecules. - Highlights: • Optical and redox properties of oligothiophene derivatives are studied. • Packing pattern of self-assembly monolayer depends on the conjugation length. • Strong electronic coupling and three redox couples in cyclic voltamogram are observed in the hierarchical self-assembly. - Abstract: Three oligothiophene (terthiophene, tetrathiophene and pentathiophene) derivatives are synthesized and their monolayer self-assemblies on gold (Au) are prepared via Au–S covalent bond. Our UV–Vis experimental characterization of solution reveals the dependence of the optical properties on the conjugation length of the oligothiophenes, which compares well with Time-Dependent Density Functional Theory (TDDFT) simulations of spectra of individual chromophores. Photoluminescent spectra of thin films show pronounced red shifts compared to that of solutions, suggesting strong inter-oligomer interactions. The comparative studies of cyclic voltammograms of tetrathiophene from solution, cast film and self-assembled monolayer (SAM) indicate presence of one, two, and three oxidized species in these samples, respectively, suggesting a very strong electronic coupling between tetrathiophene molecules in the SAM. Scanning tunneling microscopy (STM) imaging of SAMs of the tetrathiophene on an atomically flat Au surface exhibits formation of monolayer assemblies with molecular order, and the molecular packing appears to show an overlay of oligothiophene molecules on top of another one. In contrast, the trimer and pentamer images show only aggregated species lacking long-range order on the molecular level. Such trends in going from disordered–ordered–disordered monolayer assemblies are mainly due to a delicate balance between inter-chromophore π–π couplings, hydrophobic interaction and the propensity to form Au–S covalent bond. Such hypothesis has been

A python framework for environmental model uncertainty analysis

Science.gov (United States)

White, Jeremy; Fienen, Michael N.; Doherty, John E.

2016-01-01

We have developed pyEMU, a python framework for Environmental Modeling Uncertainty analyses, open-source tool that is non-intrusive, easy-to-use, computationally efficient, and scalable to highly-parameterized inverse problems. The framework implements several types of linear (first-order, second-moment (FOSM)) and non-linear uncertainty analyses. The FOSM-based analyses can also be completed prior to parameter estimation to help inform important modeling decisions, such as parameterization and objective function formulation. Complete workflows for several types of FOSM-based and non-linear analyses are documented in example notebooks implemented using Jupyter that are available in the online pyEMU repository. Example workflows include basic parameter and forecast analyses, data worth analyses, and error-variance analyses, as well as usage of parameter ensemble generation and management capabilities. These workflows document the necessary steps and provides insights into the results, with the goal of educating users not only in how to apply pyEMU, but also in the underlying theory of applied uncertainty quantification.

Spatial Modeling for Resources Framework (SMRF): A modular framework for developing spatial forcing data for snow modeling in mountain basins

Science.gov (United States)

Havens, Scott; Marks, Danny; Kormos, Patrick; Hedrick, Andrew

2017-12-01

In the Western US and many mountainous regions of the world, critical water resources and climate conditions are difficult to monitor because the observation network is generally very sparse. The critical resource from the mountain snowpack is water flowing into streams and reservoirs that will provide for irrigation, flood control, power generation, and ecosystem services. Water supply forecasting in a rapidly changing climate has become increasingly difficult because of non-stationary conditions. In response, operational water supply managers have begun to move from statistical techniques towards the use of physically based models. As we begin to transition physically based models from research to operational use, we must address the most difficult and time-consuming aspect of model initiation: the need for robust methods to develop and distribute the input forcing data. In this paper, we present a new open source framework, the Spatial Modeling for Resources Framework (SMRF), which automates and simplifies the common forcing data distribution methods. It is computationally efficient and can be implemented for both research and operational applications. We present an example of how SMRF is able to generate all of the forcing data required to a run physically based snow model at 50-100 m resolution over regions of 1000-7000 km2. The approach has been successfully applied in real time and historical applications for both the Boise River Basin in Idaho, USA and the Tuolumne River Basin in California, USA. These applications use meteorological station measurements and numerical weather prediction model outputs as input. SMRF has significantly streamlined the modeling workflow, decreased model set up time from weeks to days, and made near real-time application of a physically based snow model possible.

A Bayesian Framework of Uncertainties Integration in 3D Geological Model

Science.gov (United States)

Liang, D.; Liu, X.

2017-12-01

3D geological model can describe complicated geological phenomena in an intuitive way while its application may be limited by uncertain factors. Great progress has been made over the years, lots of studies decompose the uncertainties of geological model to analyze separately, while ignored the comprehensive impacts of multi-source uncertainties. Great progress has been made over the years, while lots of studies ignored the comprehensive impacts of multi-source uncertainties when analyzed them item by item from each source. To evaluate the synthetical uncertainty, we choose probability distribution to quantify uncertainty, and propose a bayesian framework of uncertainties integration. With this framework, we integrated data errors, spatial randomness, and cognitive information into posterior distribution to evaluate synthetical uncertainty of geological model. Uncertainties propagate and cumulate in modeling process, the gradual integration of multi-source uncertainty is a kind of simulation of the uncertainty propagation. Bayesian inference accomplishes uncertainty updating in modeling process. Maximum entropy principle makes a good effect on estimating prior probability distribution, which ensures the prior probability distribution subjecting to constraints supplied by the given information with minimum prejudice. In the end, we obtained a posterior distribution to evaluate synthetical uncertainty of geological model. This posterior distribution represents the synthetical impact of all the uncertain factors on the spatial structure of geological model. The framework provides a solution to evaluate synthetical impact on geological model of multi-source uncertainties and a thought to study uncertainty propagation mechanism in geological modeling.

A Hybrid Programming Framework for Modeling and Solving Constraint Satisfaction and Optimization Problems

OpenAIRE

Sitek, Paweł; Wikarek, Jarosław

2016-01-01

This paper proposes a hybrid programming framework for modeling and solving of constraint satisfaction problems (CSPs) and constraint optimization problems (COPs). Two paradigms, CLP (constraint logic programming) and MP (mathematical programming), are integrated in the framework. The integration is supplemented with the original method of problem transformation, used in the framework as a presolving method. The transformation substantially reduces the feasible solution space. The framework a...

Simulation-optimization framework for multi-site multi-season hybrid stochastic streamflow modeling

Science.gov (United States)

Srivastav, Roshan; Srinivasan, K.; Sudheer, K. P.

2016-11-01

A simulation-optimization (S-O) framework is developed for the hybrid stochastic modeling of multi-site multi-season streamflows. The multi-objective optimization model formulated is the driver and the multi-site, multi-season hybrid matched block bootstrap model (MHMABB) is the simulation engine within this framework. The multi-site multi-season simulation model is the extension of the existing single-site multi-season simulation model. A robust and efficient evolutionary search based technique, namely, non-dominated sorting based genetic algorithm (NSGA - II) is employed as the solution technique for the multi-objective optimization within the S-O framework. The objective functions employed are related to the preservation of the multi-site critical deficit run sum and the constraints introduced are concerned with the hybrid model parameter space, and the preservation of certain statistics (such as inter-annual dependence and/or skewness of aggregated annual flows). The efficacy of the proposed S-O framework is brought out through a case example from the Colorado River basin. The proposed multi-site multi-season model AMHMABB (whose parameters are obtained from the proposed S-O framework) preserves the temporal as well as the spatial statistics of the historical flows. Also, the other multi-site deficit run characteristics namely, the number of runs, the maximum run length, the mean run sum and the mean run length are well preserved by the AMHMABB model. Overall, the proposed AMHMABB model is able to show better streamflow modeling performance when compared with the simulation based SMHMABB model, plausibly due to the significant role played by: (i) the objective functions related to the preservation of multi-site critical deficit run sum; (ii) the huge hybrid model parameter space available for the evolutionary search and (iii) the constraint on the preservation of the inter-annual dependence. Split-sample validation results indicate that the AMHMABB model is

A model-based framework for incremental scale-up of wastewater treatment processes

DEFF Research Database (Denmark)

Mauricio Iglesias, Miguel; Sin, Gürkan

Scale-up is traditionally done following specific ratios or rules of thumb which do not lead to optimal results. We present a generic framework to assist in scale-up of wastewater treatment processes based on multiscale modelling, multiobjective optimisation and a validation of the model at the new...... large scale. The framework is illustrated by the scale-up of a complete autotropic nitrogen removal process. The model based multiobjective scaleup offers a promising improvement compared to the rule of thumbs based emprical scale up rules...

A conceptual and disease model framework for osteoporotic kyphosis.

Science.gov (United States)

Bayliss, M; Miltenburger, C; White, M; Alvares, L

2013-09-01

This paper presents a multi-method research project to develop a conceptual framework for measuring outcomes in studies of osteoporotic kyphosis. The research involved literature research and qualitative interviews among clinicians who treat patients with kyphosis and among patients with the condition. Kyphosis due to at least one vertebral compression fracture is prevalent among osteoporotic patients, resulting in well-documented symptoms and impact on functioning and well-being. A three-part study led to development of a conceptual measurement framework for comprehensive assessment of symptoms, impact, and treatment benefit for kyphosis. A literature-based disease model (DM) was developed and tested with physicians (n = 10) and patients (n = 10), and FDA guidelines were used to develop a final disease model and a conceptual framework. The DM included signs, symptoms, causes/triggers, exacerbations, and functional status associated with kyphosis. The DM was largely confirmed, but physicians and patients added several concepts related to impact on functioning, and some concepts were not confirmed and removed from the DM. This study confirms the need for more comprehensive assessment of health outcomes in kyphosis, as most current studies omit key concepts.

A business case modelling framework for smart multi-energy districts

OpenAIRE

Good, Nicholas; Martinez Cesena, Eduardo Alejandro; Liu, Xuezhi; Mancarella, Pierluigi

2017-01-01

The potential energy, environmental, technical and economic benefits that might arise from multi-energy systems are increasing interest in smart districts. However, in a liberalised market, it is essential to develop a relevant attractive business case. This paper presents a holistic techno-economic framework that couples building/district, multi-network and business case assessment models for the development of robust business cases for smart multi-energy districts. The framework is demonstr...

Modelling Framework and Assistive Device for Peripheral Intravenous Injections

Science.gov (United States)

Kam, Kin F.; Robinson, Martin P.; Gilbert, Mathew A.; Pelah, Adar

2016-02-01

Intravenous access for blood sampling or drug administration that requires peripheral venepuncture is perhaps the most common invasive procedure practiced in hospitals, clinics and general practice surgeries.We describe an idealised mathematical framework for modelling the dynamics of the peripheral venepuncture process. Basic assumptions of the model are confirmed through motion analysis of needle trajectories during venepuncture, taken from video recordings of a skilled practitioner injecting into a practice kit. The framework is also applied to the design and construction of a proposed device for accurate needle guidance during venepuncture administration, assessed as consistent and repeatable in application and does not lead to over puncture. The study provides insights into the ubiquitous peripheral venepuncture process and may contribute to applications in training and in the design of new devices, including for use in robotic automation.

A framework for quantifying net benefits of alternative prognostic models

NARCIS (Netherlands)

Rapsomaniki, E.; White, I.R.; Wood, A.M.; Thompson, S.G.; Feskens, E.J.M.; Kromhout, D.

2012-01-01

New prognostic models are traditionally evaluated using measures of discrimination and risk reclassification, but these do not take full account of the clinical and health economic context. We propose a framework for comparing prognostic models by quantifying the public health impact (net benefit)

MoVES - A Framework for Modelling and Verifying Embedded Systems

DEFF Research Database (Denmark)

Brekling, Aske Wiid; Hansen, Michael Reichhardt; Madsen, Jan

2009-01-01

The MoVES framework is being developed to assist in the early phases of embedded systems design. A system is modelled as an application running on an execution platform. The application is modelled through the individual tasks, and the execution platform is modelled through the processing elements...... examples, how MoVES can be used to model and analyze embedded systems....

Atomic geometry and STM simulations of a TiO.sub.2./sub.(110) surface upon formation of an oxygen vacancy and hydroxyl group

Czech Academy of Sciences Publication Activity Database

Mutombo, Pingo; Kiss, A.M.; Berkó, A.; Cháb, Vladimír

2008-01-01

Roč. 16, - (2008), 025007/1-025007/9 ISSN 0965-0393 R&D Projects: GA AV ČR IAA1010413 Grant - others:MŠMT(CZ) 9/2004 KONTAKT Institutional research plan: CEZ:AV0Z10100521 Source of funding: V - iné verejné zdroje Keywords : vacance * Oxygen * OH group * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.388, year: 2008

Theoretical Models and Operational Frameworks in Public Health Ethics

Science.gov (United States)

Petrini, Carlo

2010-01-01

The article is divided into three sections: (i) an overview of the main ethical models in public health (theoretical foundations); (ii) a summary of several published frameworks for public health ethics (practical frameworks); and (iii) a few general remarks. Rather than maintaining the superiority of one position over the others, the main aim of the article is to summarize the basic approaches proposed thus far concerning the development of public health ethics by describing and comparing the various ideas in the literature. With this in mind, an extensive list of references is provided. PMID:20195441

OpenDrift v1.0: a generic framework for trajectory modelling

Science.gov (United States)

Dagestad, Knut-Frode; Röhrs, Johannes; Breivik, Øyvind; Ådlandsvik, Bjørn

2018-04-01

OpenDrift is an open-source Python-based framework for Lagrangian particle modelling under development at the Norwegian Meteorological Institute with contributions from the wider scientific community. The framework is highly generic and modular, and is designed to be used for any type of drift calculations in the ocean or atmosphere. A specific module within the OpenDrift framework corresponds to a Lagrangian particle model in the traditional sense. A number of modules have already been developed, including an oil drift module, a stochastic search-and-rescue module, a pelagic egg module, and a basic module for atmospheric drift. The framework allows for the ingestion of an unspecified number of forcing fields (scalar and vectorial) from various sources, including Eulerian ocean, atmosphere and wave models, but also measurements or a priori values for the same variables. A basic backtracking mechanism is inherent, using sign reversal of the total displacement vector and negative time stepping. OpenDrift is fast and simple to set up and use on Linux, Mac and Windows environments, and can be used with minimal or no Python experience. It is designed for flexibility, and researchers may easily adapt or write modules for their specific purpose. OpenDrift is also designed for performance, and simulations with millions of particles may be performed on a laptop. Further, OpenDrift is designed for robustness and is in daily operational use for emergency preparedness modelling (oil drift, search and rescue, and drifting ships) at the Norwegian Meteorological Institute.

Scoping review identifies significant number of knowledge translation theories, models and frameworks with limited use.

Science.gov (United States)

Strifler, Lisa; Cardoso, Roberta; McGowan, Jessie; Cogo, Elise; Nincic, Vera; Khan, Paul A; Scott, Alistair; Ghassemi, Marco; MacDonald, Heather; Lai, Yonda; Treister, Victoria; Tricco, Andrea C; Straus, Sharon E

2018-04-13

To conduct a scoping review of knowledge translation (KT) theories, models and frameworks that have been used to guide dissemination or implementation of evidence-based interventions targeted to prevention and/or management of cancer or other chronic diseases. We used a comprehensive multistage search process from 2000-2016, which included traditional bibliographic database searching, searching using names of theories, models and frameworks, and cited reference searching. Two reviewers independently screened the literature and abstracted data. We found 596 studies reporting on the use of 159 KT theories, models or frameworks. A majority (87%) of the identified theories, models or frameworks were used in five or fewer studies, with 60% used once. The theories, models and frameworks were most commonly used to inform planning/design, implementation and evaluation activities, and least commonly used to inform dissemination and sustainability/scalability activities. Twenty-six were used across the full implementation spectrum (from planning/design to sustainability/scalability) either within or across studies. All were used for at least individual-level behavior change, while 48% were used for organization-level, 33% for community-level and 17% for system-level change. We found a significant number of KT theories, models and frameworks with a limited evidence base describing their use. Copyright © 2018. Published by Elsevier Inc.

Hydrogeologic Framework Model for the Saturated-Zone Site-Scale Flow

Energy Technology Data Exchange (ETDEWEB)

Z. Peterman

2003-03-05

Yucca Mountain is being evaluated as a potential site for development of a geologic repository for the permanent disposal of spent nuclear fuel and high-level radioactive waste. Ground water is considered to be the principal means for transporting radionuclides that may be released from the potential repository to the accessible environment, thereby possibly affecting public health and safety. The ground-water hydrology of the region is a result of both the arid climatic conditions and the complex geology. Ground-water flow in the Yucca Mountain region generally can be described as consisting of two main components: a series of relatively shallow and localized flow paths that are superimposed on deeper regional flow paths. A significant component of the regional ground-water flow is through a thick, generally deep-lying, Paleozoic carbonate rock sequence. Locally within the potential repository area, the flow is through a vertical sequence of welded and nonwelded tuffs that overlie the carbonate aquifer. Downgradient from the site, these tuffs terminate in basin fill deposits that are dominated by alluvium. Throughout the system, extensive and prevalent faults and fractures may control ground-water flow. The purpose of this Analysis/Modeling Report (AMR) is to document the three-dimensional (3D) hydrogeologic framework model (HFM) that has been constructed specifically to support development of a site-scale ground-water flow and transport model. Because the HFM provides the fundamental geometric framework for constructing the site-scale 3D ground-water flow model that will be used to evaluate potential radionuclide transport through the saturated zone (SZ) from beneath the potential repository to down-gradient compliance points, the HFM is important for assessing potential repository system performance. This AMR documents the progress of the understanding of the site-scale SZ ground-water flow system framework at Yucca Mountain based on data through July 1999. The

Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks

International Nuclear Information System (INIS)

Cheng, Peifu; Hu, Yun Hang

2016-01-01

Graphical abstract: It was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model for C2H2 adsorption on metal-organic frameworks (MOFs), including MOF-5, ZIF-8, HKUST-1, and MIL-53. - Highlights: • Dubinin-Astakhov equation is demonstrated to be a general model for C_2H_2 adsorption on metal-organic frameworks (MOFs). • Surface areas obtained with Dubinin-Astakhov equation from C_2H_2 adsorption on MOFs are consistent with BET surface areas from N_2 adsorption. • C_2H_2 on MOF-5, ZIF-8, and MIL-53 is a physical adsorption, whereas its adsorption on HKUST-1 is due to a chemical bonding. - Abstract: Acetylene (C_2H_2) is explosive at a pressure above 29 psi, causing a safety issue for its storage and applications. C_2H_2 adsorption on metal-organic frameworks (MOFs) has been explored to solve the issue. However, a suitable isotherm equation for C_2H_2 adsorption on various MOFs has not been found. In this paper, it was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model to depict C_2H_2 adsorption on MOF-5, ZIF-8, HKUST-1, and MIL-53. In contrast, commonly used Langmuir and BET models exhibited their inapplicability for C_2H_2 adsorption on those MOFs.

A Modeling Framework for Schedulability Analysis of Distributed Avionics Systems

DEFF Research Database (Denmark)

Han, Pujie; Zhai, Zhengjun; Nielsen, Brian

2018-01-01

This paper presents a modeling framework for schedulability analysis of distributed integrated modular avionics (DIMA) systems that consist of spatially distributed ARINC-653 modules connected by a unified AFDX network. We model a DIMA system as a set of stopwatch automata (SWA) in UPPAAL...

Insight into model mechanisms through automatic parameter fitting: a new methodological framework for model development.

Science.gov (United States)

Tøndel, Kristin; Niederer, Steven A; Land, Sander; Smith, Nicolas P

2014-05-20

Striking a balance between the degree of model complexity and parameter identifiability, while still producing biologically feasible simulations using modelling is a major challenge in computational biology. While these two elements of model development are closely coupled, parameter fitting from measured data and analysis of model mechanisms have traditionally been performed separately and sequentially. This process produces potential mismatches between model and data complexities that can compromise the ability of computational frameworks to reveal mechanistic insights or predict new behaviour. In this study we address this issue by presenting a generic framework for combined model parameterisation, comparison of model alternatives and analysis of model mechanisms. The presented methodology is based on a combination of multivariate metamodelling (statistical approximation of the input-output relationships of deterministic models) and a systematic zooming into biologically feasible regions of the parameter space by iterative generation of new experimental designs and look-up of simulations in the proximity of the measured data. The parameter fitting pipeline includes an implicit sensitivity analysis and analysis of parameter identifiability, making it suitable for testing hypotheses for model reduction. Using this approach, under-constrained model parameters, as well as the coupling between parameters within the model are identified. The methodology is demonstrated by refitting the parameters of a published model of cardiac cellular mechanics using a combination of measured data and synthetic data from an alternative model of the same system. Using this approach, reduced models with simplified expressions for the tropomyosin/crossbridge kinetics were found by identification of model components that can be omitted without affecting the fit to the parameterising data. Our analysis revealed that model parameters could be constrained to a standard deviation of on

An ice sheet model validation framework for the Greenland ice sheet

Science.gov (United States)

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P.; Evans, Katherine J.; Kennedy, Joseph H.; Lenaerts, Jan; Lipscomb, William H.; Perego, Mauro; Salinger, Andrew G.; Tuminaro, Raymond S.; van den Broeke, Michiel R.; Nowicki, Sophie M. J.

2017-01-01

We propose a new ice sheet model validation framework - the Cryospheric Model Comparison Tool (CmCt) - that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013, using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin-scale and whole-ice-sheet-scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate a predictive skill with respect to observed dynamic changes that have occurred on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.

A framework for scalable parameter estimation of gene circuit models using structural information

KAUST Repository

Kuwahara, Hiroyuki

2013-06-21

Motivation: Systematic and scalable parameter estimation is a key to construct complex gene regulatory models and to ultimately facilitate an integrative systems biology approach to quantitatively understand the molecular mechanisms underpinning gene regulation. Results: Here, we report a novel framework for efficient and scalable parameter estimation that focuses specifically on modeling of gene circuits. Exploiting the structure commonly found in gene circuit models, this framework decomposes a system of coupled rate equations into individual ones and efficiently integrates them separately to reconstruct the mean time evolution of the gene products. The accuracy of the parameter estimates is refined by iteratively increasing the accuracy of numerical integration using the model structure. As a case study, we applied our framework to four gene circuit models with complex dynamics based on three synthetic datasets and one time series microarray data set. We compared our framework to three state-of-the-art parameter estimation methods and found that our approach consistently generated higher quality parameter solutions efficiently. Although many general-purpose parameter estimation methods have been applied for modeling of gene circuits, our results suggest that the use of more tailored approaches to use domain-specific information may be a key to reverse engineering of complex biological systems. The Author 2013.

A framework for scalable parameter estimation of gene circuit models using structural information

KAUST Repository

Kuwahara, Hiroyuki; Fan, Ming; Wang, Suojin; Gao, Xin

2013-01-01

Motivation: Systematic and scalable parameter estimation is a key to construct complex gene regulatory models and to ultimately facilitate an integrative systems biology approach to quantitatively understand the molecular mechanisms underpinning gene regulation. Results: Here, we report a novel framework for efficient and scalable parameter estimation that focuses specifically on modeling of gene circuits. Exploiting the structure commonly found in gene circuit models, this framework decomposes a system of coupled rate equations into individual ones and efficiently integrates them separately to reconstruct the mean time evolution of the gene products. The accuracy of the parameter estimates is refined by iteratively increasing the accuracy of numerical integration using the model structure. As a case study, we applied our framework to four gene circuit models with complex dynamics based on three synthetic datasets and one time series microarray data set. We compared our framework to three state-of-the-art parameter estimation methods and found that our approach consistently generated higher quality parameter solutions efficiently. Although many general-purpose parameter estimation methods have been applied for modeling of gene circuits, our results suggest that the use of more tailored approaches to use domain-specific information may be a key to reverse engineering of complex biological systems. The Author 2013.

[Research on the High Efficiency Data Communication Repeater Based on STM32F103].

Science.gov (United States)

Zhang, Yahui; Li, Zheng; Chen, Guangfei

2015-11-01

To improve the radio frequency (RF) transmission distance of the wireless terminal of the medical internet of things (LOT), to realize the real-time and efficient data communication, the intelligent relay system based on STM32F103 single chip microcomputer (SCM) is proposed. The system used nRF905 chip to achieve the collection, of medical and health information of patients in the 433 MHz band, used SCM to control the serial port to Wi-Fi module to transmit information from 433 MHz to 2.4 GHz wireless Wi-Fi band, and used table look-up algorithm of ready list to improve the efficiency of data communications. The design can realize real-time and efficient data communication. The relay which is easy to use with high practical value can extend the distance and mode of data transmission and achieve real-time transmission of data.

Graphene symmetry-breaking with molecular adsorbates: modeling and experiment

Science.gov (United States)

Groce, M. A.; Hawkins, M. K.; Wang, Y. L.; Cullen, W. G.; Einstein, T. L.

2012-02-01

Graphene's structure and electronic properties provide a framework for understanding molecule-substrate interactions and developing techniques for band gap engineering. Controlled deposition of molecular adsorbates can create superlattices which break the degeneracy of graphene's two-atom unit cell, opening a band gap. We simulate scanning tunneling microscopy and spectroscopy measurements for a variety of organic molecule/graphene systems, including pyridine, trimesic acid, and isonicotinic acid, based on density functional theory calculations using VASP. We also compare our simulations to ultra-high vacuum STM and STS results.

Framework for product knowledge and product related knowledge which supports product modelling for mass customization

DEFF Research Database (Denmark)

Riis, Jesper; Hansen, Benjamin Loer; Hvam, Lars

2003-01-01

on experience from product modelling projects in several companies. Among them for example companies manufacturing electronic switchboards, spray dryer systems and air conditioning equipment. The framework is divided into three views: the product knowledge view, the life phase system view and the transformation...... and personalization. The framework for product knowledge and product related knowledge is based on the following theories: axiomatic design, technical systems, theory of domains, theory of structuring, theory of properties and the framework for the content of product and product related models. The framework is built......The article presents a framework for product knowledge and product related knowledge which can be used to support the product modelling process which is needed for developing IT systems. These IT systems are important tools for many companies when they aim at achieving mass customization...

Common and Innovative Visuals: A sparsity modeling framework for video.

Science.gov (United States)

Abdolhosseini Moghadam, Abdolreza; Kumar, Mrityunjay; Radha, Hayder

2014-05-02

Efficient video representation models are critical for many video analysis and processing tasks. In this paper, we present a framework based on the concept of finding the sparsest solution to model video frames. To model the spatio-temporal information, frames from one scene are decomposed into two components: (i) a common frame, which describes the visual information common to all the frames in the scene/segment, and (ii) a set of innovative frames, which depicts the dynamic behaviour of the scene. The proposed approach exploits and builds on recent results in the field of compressed sensing to jointly estimate the common frame and the innovative frames for each video segment. We refer to the proposed modeling framework by CIV (Common and Innovative Visuals). We show how the proposed model can be utilized to find scene change boundaries and extend CIV to videos from multiple scenes. Furthermore, the proposed model is robust to noise and can be used for various video processing applications without relying on motion estimation and detection or image segmentation. Results for object tracking, video editing (object removal, inpainting) and scene change detection are presented to demonstrate the efficiency and the performance of the proposed model.

STM and x-ray diffraction temperature-dependent growth study of SrRuO{sub 3} PLD thin films

Energy Technology Data Exchange (ETDEWEB)

Hawley, M.E.; Jia, Q.X.; Brown, G.W.

1996-12-31

SrRuO{sub 3} (SRO) has recently found a number of applications in different fields, e.g. as a buffer layer for the growth of high temperature superconductor (HTS) YBa{sub 2}Cu{sub 3}O{sub 7-x} films and as a bottom electrode for ferroelectric or high dielectric constant thin film capacitors and nonvolatile data storage. The growth of high crystallinity SRO films with good structural and electrical properties is the prerequisite for each of these applications. In this paper we describe the affect of one growth parameters temperature (T), on the crystalline quality, epitaxial substrate relationship and resulting electrical properties. SRO films were deposited on LaAlO{sub 3} single crystal substrates by pulsed laser deposition at substrate temperatures (T{sub s}) ranging from room temperature (RT) up to 800{degrees}C with a nominal film thickness of 150 nm range. The resulting films were characterized by x-ray diffraction, 4-point transport, and STM. The films` microstructures, as revealed by STM, evolved from polygranular at RT to a layered plate-like structure at higher deposition temperatures, T{sub s}, Increasing T{sub s} was marked first by increasing grain size, then a stronger orientational relationship between film and substrate, finally followed by the development of increased connectivity between grains to an extended island or condensed layered state. The transition from polygranular to layered structure occurred at T{sub s} > 650{degrees}C. Increased conductivity paralleled the changes in microstructure. The surfaces of all of the films were relatively smooth; the oriented films are suitable for use as conductive templates in multilayer structures.

Risk Assessment of Bioaccumulation Substances. Part II: Description of a Model Framework

NARCIS (Netherlands)

Tamis, J.E.; Vries, de P.; Karman, C.C.

2009-01-01

This report provides a proposal for a framework for risk assessment of bioaccumulative substances, either from produced water discharges or present as background contamination. The proposed framework is such that it is compatible to the current EIF risk assessment models that are used in the

A model-based framework for design of intensified enzyme-based processes

DEFF Research Database (Denmark)

Román-Martinez, Alicia

This thesis presents a generic and systematic model-based framework to design intensified enzyme-based processes. The development of the presented methodology was motivated by the needs of the bio-based industry for a more systematic approach to achieve intensification in its production plants...... in enzyme-based processes which have found significant application in the pharmaceutical, food, and renewable fuels sector. The framework uses model-based strategies for (bio)-chemical process design and optimization, including the use of a superstructure to generate all potential reaction......(s)-separation(s) options according to a desired performance criteria and a generic mathematical model represented by the superstructure to derive the specific models corresponding to a specific process option. In principle, three methods of intensification of bioprocess are considered in this thesis: 1. enzymatic one...

A climate robust integrated modelling framework for regional impact assessment of climate change

Science.gov (United States)

Janssen, Gijs; Bakker, Alexander; van Ek, Remco; Groot, Annemarie; Kroes, Joop; Kuiper, Marijn; Schipper, Peter; van Walsum, Paul; Wamelink, Wieger; Mol, Janet

2013-04-01

Decision making towards climate proofing the water management of regional catchments can benefit greatly from the availability of a climate robust integrated modelling framework, capable of a consistent assessment of climate change impacts on the various interests present in the catchments. In the Netherlands, much effort has been devoted to developing state-of-the-art regional dynamic groundwater models with a very high spatial resolution (25x25 m2). Still, these models are not completely satisfactory to decision makers because the modelling concepts do not take into account feedbacks between meteorology, vegetation/crop growth, and hydrology. This introduces uncertainties in forecasting the effects of climate change on groundwater, surface water, agricultural yields, and development of groundwater dependent terrestrial ecosystems. These uncertainties add to the uncertainties about the predictions on climate change itself. In order to create an integrated, climate robust modelling framework, we coupled existing model codes on hydrology, agriculture and nature that are currently in use at the different research institutes in the Netherlands. The modelling framework consists of the model codes MODFLOW (groundwater flow), MetaSWAP (vadose zone), WOFOST (crop growth), SMART2-SUMO2 (soil-vegetation) and NTM3 (nature valuation). MODFLOW, MetaSWAP and WOFOST are coupled online (i.e. exchange information on time step basis). Thus, changes in meteorology and CO2-concentrations affect crop growth and feedbacks between crop growth, vadose zone water movement and groundwater recharge are accounted for. The model chain WOFOST-MetaSWAP-MODFLOW generates hydrological input for the ecological prediction model combination SMART2-SUMO2-NTM3. The modelling framework was used to support the regional water management decision making process in the 267 km2 Baakse Beek-Veengoot catchment in the east of the Netherlands. Computations were performed for regionalized 30-year climate change

OpenDrift v1.0: a generic framework for trajectory modelling

Directory of Open Access Journals (Sweden)

K.-F. Dagestad

2018-04-01

Full Text Available OpenDrift is an open-source Python-based framework for Lagrangian particle modelling under development at the Norwegian Meteorological Institute with contributions from the wider scientific community. The framework is highly generic and modular, and is designed to be used for any type of drift calculations in the ocean or atmosphere. A specific module within the OpenDrift framework corresponds to a Lagrangian particle model in the traditional sense. A number of modules have already been developed, including an oil drift module, a stochastic search-and-rescue module, a pelagic egg module, and a basic module for atmospheric drift. The framework allows for the ingestion of an unspecified number of forcing fields (scalar and vectorial from various sources, including Eulerian ocean, atmosphere and wave models, but also measurements or a priori values for the same variables. A basic backtracking mechanism is inherent, using sign reversal of the total displacement vector and negative time stepping. OpenDrift is fast and simple to set up and use on Linux, Mac and Windows environments, and can be used with minimal or no Python experience. It is designed for flexibility, and researchers may easily adapt or write modules for their specific purpose. OpenDrift is also designed for performance, and simulations with millions of particles may be performed on a laptop. Further, OpenDrift is designed for robustness and is in daily operational use for emergency preparedness modelling (oil drift, search and rescue, and drifting ships at the Norwegian Meteorological Institute.

Modeling complex biological flows in multi-scale systems using the APDEC framework

Science.gov (United States)

Trebotich, David

2006-09-01

We have developed advanced numerical algorithms to model biological fluids in multiscale flow environments using the software framework developed under the SciDAC APDEC ISIC. The foundation of our computational effort is an approach for modeling DNA laden fluids as ''bead-rod'' polymers whose dynamics are fully coupled to an incompressible viscous solvent. The method is capable of modeling short range forces and interactions between particles using soft potentials and rigid constraints. Our methods are based on higher-order finite difference methods in complex geometry with adaptivity, leveraging algorithms and solvers in the APDEC Framework. Our Cartesian grid embedded boundary approach to incompressible viscous flow in irregular geometries has also been interfaced to a fast and accurate level-sets method within the APDEC Framework for extracting surfaces from volume renderings of medical image data and used to simulate cardio-vascular and pulmonary flows in critical anatomies.

Theoretical Models and Operational Frameworks in Public Health Ethics

Directory of Open Access Journals (Sweden)

Carlo Petrini

2010-01-01

Full Text Available The article is divided into three sections: (i an overview of the main ethical models in public health (theoretical foundations; (ii a summary of several published frameworks for public health ethics (practical frameworks; and (iii a few general remarks. Rather than maintaining the superiority of one position over the others, the main aim of the article is to summarize the basic approaches proposed thus far concerning the development of public health ethics by describing and comparing the various ideas in the literature. With this in mind, an extensive list of references is provided.

The Goddard Snow Radiance Assimilation Project: An Integrated Snow Radiance and Snow Physics Modeling Framework for Snow/cold Land Surface Modeling

Science.gov (United States)

Kim, E.; Tedesco, M.; Reichle, R.; Choudhury, B.; Peters-Lidard C.; Foster, J.; Hall, D.; Riggs, G.

2006-01-01

Microwave-based retrievals of snow parameters from satellite observations have a long heritage and have so far been generated primarily by regression-based empirical "inversion" methods based on snapshots in time. Direct assimilation of microwave radiance into physical land surface models can be used to avoid errors associated with such retrieval/inversion methods, instead utilizing more straightforward forward models and temporal information. This approach has been used for years for atmospheric parameters by the operational weather forecasting community with great success. Recent developments in forward radiative transfer modeling, physical land surface modeling, and land data assimilation are converging to allow the assembly of an integrated framework for snow/cold lands modeling and radiance assimilation. The objective of the Goddard snow radiance assimilation project is to develop such a framework and explore its capabilities. The key elements of this framework include: a forward radiative transfer model (FRTM) for snow, a snowpack physical model, a land surface water/energy cycle model, and a data assimilation scheme. In fact, multiple models are available for each element enabling optimization to match the needs of a particular study. Together these form a modular and flexible framework for self-consistent, physically-based remote sensing and water/energy cycle studies. In this paper we will describe the elements and the integration plan. All modules will operate within the framework of the Land Information System (LIS), a land surface modeling framework with data assimilation capabilities running on a parallel-node computing cluster. Capabilities for assimilation of snow retrieval products are already under development for LIS. We will describe plans to add radiance-based assimilation capabilities. Plans for validation activities using field measurements will also be discussed.

A framework for scalable parameter estimation of gene circuit models using structural information.

Science.gov (United States)

Kuwahara, Hiroyuki; Fan, Ming; Wang, Suojin; Gao, Xin

2013-07-01

Systematic and scalable parameter estimation is a key to construct complex gene regulatory models and to ultimately facilitate an integrative systems biology approach to quantitatively understand the molecular mechanisms underpinning gene regulation. Here, we report a novel framework for efficient and scalable parameter estimation that focuses specifically on modeling of gene circuits. Exploiting the structure commonly found in gene circuit models, this framework decomposes a system of coupled rate equations into individual ones and efficiently integrates them separately to reconstruct the mean time evolution of the gene products. The accuracy of the parameter estimates is refined by iteratively increasing the accuracy of numerical integration using the model structure. As a case study, we applied our framework to four gene circuit models with complex dynamics based on three synthetic datasets and one time series microarray data set. We compared our framework to three state-of-the-art parameter estimation methods and found that our approach consistently generated higher quality parameter solutions efficiently. Although many general-purpose parameter estimation methods have been applied for modeling of gene circuits, our results suggest that the use of more tailored approaches to use domain-specific information may be a key to reverse engineering of complex biological systems. http://sfb.kaust.edu.sa/Pages/Software.aspx. Supplementary data are available at Bioinformatics online.

A VGI data integration framework based on linked data model

Science.gov (United States)

Wan, Lin; Ren, Rongrong

2015-12-01

This paper aims at the geographic data integration and sharing method for multiple online VGI data sets. We propose a semantic-enabled framework for online VGI sources cooperative application environment to solve a target class of geospatial problems. Based on linked data technologies - which is one of core components of semantic web, we can construct the relationship link among geographic features distributed in diverse VGI platform by using linked data modeling methods, then deploy these semantic-enabled entities on the web, and eventually form an interconnected geographic data network to support geospatial information cooperative application across multiple VGI data sources. The mapping and transformation from VGI sources to RDF linked data model is presented to guarantee the unique data represent model among different online social geographic data sources. We propose a mixed strategy which combined spatial distance similarity and feature name attribute similarity as the measure standard to compare and match different geographic features in various VGI data sets. And our work focuses on how to apply Markov logic networks to achieve interlinks of the same linked data in different VGI-based linked data sets. In our method, the automatic generating method of co-reference object identification model according to geographic linked data is discussed in more detail. It finally built a huge geographic linked data network across loosely-coupled VGI web sites. The results of the experiment built on our framework and the evaluation of our method shows the framework is reasonable and practicable.

Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Cheng, Peifu; Hu, Yun Hang, E-mail: yunhangh@mtu.edu

2016-07-30

Graphical abstract: It was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model for C2H2 adsorption on metal-organic frameworks (MOFs), including MOF-5, ZIF-8, HKUST-1, and MIL-53. - Highlights: • Dubinin-Astakhov equation is demonstrated to be a general model for C{sub 2}H{sub 2} adsorption on metal-organic frameworks (MOFs). • Surface areas obtained with Dubinin-Astakhov equation from C{sub 2}H{sub 2} adsorption on MOFs are consistent with BET surface areas from N{sub 2} adsorption. • C{sub 2}H{sub 2} on MOF-5, ZIF-8, and MIL-53 is a physical adsorption, whereas its adsorption on HKUST-1 is due to a chemical bonding. - Abstract: Acetylene (C{sub 2}H{sub 2}) is explosive at a pressure above 29 psi, causing a safety issue for its storage and applications. C{sub 2}H{sub 2} adsorption on metal-organic frameworks (MOFs) has been explored to solve the issue. However, a suitable isotherm equation for C{sub 2}H{sub 2} adsorption on various MOFs has not been found. In this paper, it was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model to depict C{sub 2}H{sub 2} adsorption on MOF-5, ZIF-8, HKUST-1, and MIL-53. In contrast, commonly used Langmuir and BET models exhibited their inapplicability for C{sub 2}H{sub 2} adsorption on those MOFs.

Optimizing the structure of the natural gas market using an agent-based modeling framework

Energy Technology Data Exchange (ETDEWEB)

Van Benthem, M.

2010-01-14

The overall research question guiding this study is as follows: what is the optimal structure of the natural gas market, considering both the degrees of affordability and supply security resulting from this structure? The sub-questions are: How can the concepts of supply security and affordability be usefully defined? (Chapter 2); What should a modeling framework for analyzing the natural gas market with regard to these concepts look like? (Chapters 3 and 4); What general conclusions can be drawn on the basis of this framework? (Chapter 5); What is the effect of liberalization on the Dutch natural gas market? (Chapter 6); What are the possible effects of current trends unfolding in the Dutch natural gas market? (Chapter 7). The framework constructed in this study implicitly contains the necessary elements for deriving a sustainability indicator too. However, to limit the scope of the study, sustainability will not be analyzed explicitly. Chapter 2 provides an introductory description of the natural gas market. Starting from a description of the natural gas value chain, the process of liberalization is described as a change in the organization of the value chain. In addition, the concepts of affordability and supply security are discussed and appropriate quantitative indicators for both objectives are identified. In Chapter 3, a survey of existing gas market models is performed. On the basis of this survey, a classification system for natural gas market models is developed. Furthermore, the characteristics of a modeling framework fit for the purpose of this study are derived. In Chapter 4, a general, quantitative framework for natural gas market modeling is developed on the basis of agent-based computational economics. The model's structure, its dynamics, output and data requirements are described. Furthermore, the properties of each agent are explored, and the possibilities for model verification and validation are outlined. Chapter 5 provides a number of

Optimizing the structure of the natural gas market using an agent-based modeling framework

International Nuclear Information System (INIS)

Van Benthem, M.

2010-01-01

The overall research question guiding this study is as follows: what is the optimal structure of the natural gas market, considering both the degrees of affordability and supply security resulting from this structure? The sub-questions are: How can the concepts of supply security and affordability be usefully defined? (Chapter 2); What should a modeling framework for analyzing the natural gas market with regard to these concepts look like? (Chapters 3 and 4); What general conclusions can be drawn on the basis of this framework? (Chapter 5); What is the effect of liberalization on the Dutch natural gas market? (Chapter 6); What are the possible effects of current trends unfolding in the Dutch natural gas market? (Chapter 7). The framework constructed in this study implicitly contains the necessary elements for deriving a sustainability indicator too. However, to limit the scope of the study, sustainability will not be analyzed explicitly. Chapter 2 provides an introductory description of the natural gas market. Starting from a description of the natural gas value chain, the process of liberalization is described as a change in the organization of the value chain. In addition, the concepts of affordability and supply security are discussed and appropriate quantitative indicators for both objectives are identified. In Chapter 3, a survey of existing gas market models is performed. On the basis of this survey, a classification system for natural gas market models is developed. Furthermore, the characteristics of a modeling framework fit for the purpose of this study are derived. In Chapter 4, a general, quantitative framework for natural gas market modeling is developed on the basis of agent-based computational economics. The model's structure, its dynamics, output and data requirements are described. Furthermore, the properties of each agent are explored, and the possibilities for model verification and validation are outlined. Chapter 5 provides a number of

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

Science.gov (United States)

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

2016-05-01

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

A mathematical framework for agent based models of complex biological networks.

Science.gov (United States)

Hinkelmann, Franziska; Murrugarra, David; Jarrah, Abdul Salam; Laubenbacher, Reinhard

2011-07-01

Agent-based modeling and simulation is a useful method to study biological phenomena in a wide range of fields, from molecular biology to ecology. Since there is currently no agreed-upon standard way to specify such models, it is not always easy to use published models. Also, since model descriptions are not usually given in mathematical terms, it is difficult to bring mathematical analysis tools to bear, so that models are typically studied through simulation. In order to address this issue, Grimm et al. proposed a protocol for model specification, the so-called ODD protocol, which provides a standard way to describe models. This paper proposes an addition to the ODD protocol which allows the description of an agent-based model as a dynamical system, which provides access to computational and theoretical tools for its analysis. The mathematical framework is that of algebraic models, that is, time-discrete dynamical systems with algebraic structure. It is shown by way of several examples how this mathematical specification can help with model analysis. This mathematical framework can also accommodate other model types such as Boolean networks and the more general logical models, as well as Petri nets.

A compositional modelling framework for exploring MPSoC systems

DEFF Research Database (Denmark)

Tranberg-Hansen, Anders Sejer; Madsen, Jan

2009-01-01

This paper presents a novel compositional framework for system level performance estimation and exploration of Multi-Processor System On Chip (MPSoC) based systems. The main contributions are the definition of a compositional model which allows quantitative performance estimation to be carried ou...

Anisotropic superconductivity in β-(BDA-TTP)2SbF6: STM spectroscopy

Science.gov (United States)

Nomura, K.; Muraoka, R.; Matsunaga, N.; Ichimura, K.; Yamada, J.

2009-03-01

We have investigated the gap symmetry in the superconducting phase of β-(BDA-TTP)2SbF6 with use of the scanning tunneling microscope (STM). The tunneling spectra obtained on the conducting surface show a clear superconducting gap structure. Its functional form is of V-shaped similarly to κ-(BEDT-TTF)2X and suggests the anisotropic superconducting gap with line nodes. For lateral surfaces the shape of tunneling spectra varies from the U-shape with relatively large gap to the V-shape with small gap depending on the tunneling direction alternately twice between directional angle 0 and π. From the analysis of conductance curve taking the k dependence of the tunneling probability into account, it is found that the gap has maximum near the a* and c* axes and the nodes appear along near a*+c* and the a-c* directions. These indicate that the d like superconducting pair is formed in this system as the case of κ-(BEDT-TTF)2X. This node direction is consistent with the theoretical prediction based on the spin fluctuation mechanism. However, the zero-bias conductance peak has not been observed yet.

Anisotropic superconductivity in β-(BDA-TTP)2SbF6: STM spectroscopy

International Nuclear Information System (INIS)

Nomura, K.; Muraoka, R.; Matsunaga, N.; Ichimura, K.; Yamada, J.

2009-01-01

We have investigated the gap symmetry in the superconducting phase of β-(BDA-TTP) 2 SbF 6 with use of the scanning tunneling microscope (STM). The tunneling spectra obtained on the conducting surface show a clear superconducting gap structure. Its functional form is of V-shaped similarly to κ-(BEDT-TTF) 2 X and suggests the anisotropic superconducting gap with line nodes. For lateral surfaces the shape of tunneling spectra varies from the U-shape with relatively large gap to the V-shape with small gap depending on the tunneling direction alternately twice between directional angle 0 and π. From the analysis of conductance curve taking the k dependence of the tunneling probability into account, it is found that the gap has maximum near the a* and c* axes and the nodes appear along near a*+c* and the a-c* directions. These indicate that the d x 2 -y 2 like superconducting pair is formed in this system as the case of κ-(BEDT-TTF) 2 X. This node direction is consistent with the theoretical prediction based on the spin fluctuation mechanism. However, the zero-bias conductance peak has not been observed yet

A Personalized Predictive Framework for Multivariate Clinical Time Series via Adaptive Model Selection.

Science.gov (United States)

Liu, Zitao; Hauskrecht, Milos

2017-11-01

Building of an accurate predictive model of clinical time series for a patient is critical for understanding of the patient condition, its dynamics, and optimal patient management. Unfortunately, this process is not straightforward. First, patient-specific variations are typically large and population-based models derived or learned from many different patients are often unable to support accurate predictions for each individual patient. Moreover, time series observed for one patient at any point in time may be too short and insufficient to learn a high-quality patient-specific model just from the patient's own data. To address these problems we propose, develop and experiment with a new adaptive forecasting framework for building multivariate clinical time series models for a patient and for supporting patient-specific predictions. The framework relies on the adaptive model switching approach that at any point in time selects the most promising time series model out of the pool of many possible models, and consequently, combines advantages of the population, patient-specific and short-term individualized predictive models. We demonstrate that the adaptive model switching framework is very promising approach to support personalized time series prediction, and that it is able to outperform predictions based on pure population and patient-specific models, as well as, other patient-specific model adaptation strategies.

In silico simulations of tunneling barrier measurements for molecular orbital-mediated junctions: A molecular orbital theory approach to scanning tunneling microscopy

Energy Technology Data Exchange (ETDEWEB)

Terryn, Raymond J.; Sriraman, Krishnan; Olson, Joel A., E-mail: jolson@fit.edu; Baum, J. Clayton, E-mail: cbaum@fit.edu [Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901 (United States); Novak, Mark J. [Department of Chemistry and Applied Biological Sciences, South Dakota School of Mines and Technology, 501 E. Saint Joseph Street, Rapid City, South Dakota 57701 (United States)

2016-09-15

A new simulator for scanning tunneling microscopy (STM) is presented based on the linear combination of atomic orbitals molecular orbital (LCAO-MO) approximation for the effective tunneling Hamiltonian, which leads to the convolution integral when applied to the tip interaction with the sample. This approach intrinsically includes the structure of the STM tip. Through this mechanical emulation and the tip-inclusive convolution model, dI/dz images for molecular orbitals (which are closely associated with apparent barrier height, ϕ{sub ap}) are reported for the first time. For molecular adsorbates whose experimental topographic images correspond well to isolated-molecule quantum chemistry calculations, the simulator makes accurate predictions, as illustrated by various cases. Distortions in these images due to the tip are shown to be in accord with those observed experimentally and predicted by other ab initio considerations of tip structure. Simulations of the tunneling current dI/dz images are in strong agreement with experiment. The theoretical framework provides a solid foundation which may be applied to LCAO cluster models of adsorbate–substrate systems, and is extendable to emulate several aspects of functional STM operation.

In silico simulations of tunneling barrier measurements for molecular orbital-mediated junctions: A molecular orbital theory approach to scanning tunneling microscopy

International Nuclear Information System (INIS)

Terryn, Raymond J.; Sriraman, Krishnan; Olson, Joel A.; Baum, J. Clayton; Novak, Mark J.

2016-01-01

A new simulator for scanning tunneling microscopy (STM) is presented based on the linear combination of atomic orbitals molecular orbital (LCAO-MO) approximation for the effective tunneling Hamiltonian, which leads to the convolution integral when applied to the tip interaction with the sample. This approach intrinsically includes the structure of the STM tip. Through this mechanical emulation and the tip-inclusive convolution model, dI/dz images for molecular orbitals (which are closely associated with apparent barrier height, ϕ_a_p) are reported for the first time. For molecular adsorbates whose experimental topographic images correspond well to isolated-molecule quantum chemistry calculations, the simulator makes accurate predictions, as illustrated by various cases. Distortions in these images due to the tip are shown to be in accord with those observed experimentally and predicted by other ab initio considerations of tip structure. Simulations of the tunneling current dI/dz images are in strong agreement with experiment. The theoretical framework provides a solid foundation which may be applied to LCAO cluster models of adsorbate–substrate systems, and is extendable to emulate several aspects of functional STM operation.

The ontology model of FrontCRM framework

Science.gov (United States)

Budiardjo, Eko K.; Perdana, Wira; Franshisca, Felicia

2013-03-01

Adoption and implementation of Customer Relationship Management (CRM) is not merely a technological installation, but the emphasis is more on the application of customer-centric philosophy and culture as a whole. CRM must begin at the level of business strategy, the only level that thorough organizational changes are possible to be done. Changes agenda can be directed to each departmental plans, and supported by information technology. Work processes related to CRM concept include marketing, sales, and services. FrontCRM is developed as framework to guide in identifying business processes related to CRM in which based on the concept of strategic planning approach. This leads to processes and practices identification in every process area related to marketing, sales, and services. The Ontology model presented on this paper by means serves as tools to avoid framework misunderstanding, to define practices systematically within process area and to find CRM software features related to those practices.

Flexible Modeling of Epidemics with an Empirical Bayes Framework

Science.gov (United States)

Brooks, Logan C.; Farrow, David C.; Hyun, Sangwon; Tibshirani, Ryan J.; Rosenfeld, Roni

2015-01-01

Seasonal influenza epidemics cause consistent, considerable, widespread loss annually in terms of economic burden, morbidity, and mortality. With access to accurate and reliable forecasts of a current or upcoming influenza epidemic’s behavior, policy makers can design and implement more effective countermeasures. This past year, the Centers for Disease Control and Prevention hosted the “Predict the Influenza Season Challenge”, with the task of predicting key epidemiological measures for the 2013–2014 U.S. influenza season with the help of digital surveillance data. We developed a framework for in-season forecasts of epidemics using a semiparametric Empirical Bayes framework, and applied it to predict the weekly percentage of outpatient doctors visits for influenza-like illness, and the season onset, duration, peak time, and peak height, with and without using Google Flu Trends data. Previous work on epidemic modeling has focused on developing mechanistic models of disease behavior and applying time series tools to explain historical data. However, tailoring these models to certain types of surveillance data can be challenging, and overly complex models with many parameters can compromise forecasting ability. Our approach instead produces possibilities for the epidemic curve of the season of interest using modified versions of data from previous seasons, allowing for reasonable variations in the timing, pace, and intensity of the seasonal epidemics, as well as noise in observations. Since the framework does not make strict domain-specific assumptions, it can easily be applied to some other diseases with seasonal epidemics. This method produces a complete posterior distribution over epidemic curves, rather than, for example, solely point predictions of forecasting targets. We report prospective influenza-like-illness forecasts made for the 2013–2014 U.S. influenza season, and compare the framework’s cross-validated prediction error on historical data to

A Procurement Performance Model for Construction Frameworks

Directory of Open Access Journals (Sweden)

Terence Y M Lam

2015-07-01

Full Text Available Collaborative construction frameworks have been developed in the United Kingdom (UK to create longer term relationships between clients and suppliers in order to improve project outcomes. Research undertaken into highways maintenance set within a major county council has confirmed that such collaborative procurement methods can improve time, cost and quality of construction projects. Building upon this and examining the same single case, this research aims to develop a performance model through identification of performance drivers in the whole project delivery process including pre and post contract phases. A priori performance model based on operational and sociological constructs was proposed and then checked by a pilot study. Factor analysis and central tendency statistics from the questionnaires as well as content analysis from the interview transcripts were conducted. It was confirmed that long term relationships, financial and non-financial incentives and stronger communication are the sociological behaviour factors driving performance. The interviews also established that key performance indicators (KPIs can be used as an operational measure to improve performance. With the posteriori performance model, client project managers can effectively collaboratively manage contractor performance through procurement measures including use of longer term and KPIs for the contract so that the expected project outcomes can be achieved. The findings also make significant contribution to construction framework procurement theory by identifying the interrelated sociological and operational performance drivers. This study is set predominantly in the field of highways civil engineering. It is suggested that building based projects or other projects that share characteristics are grouped together and used for further research of the phenomena discovered.

Developing the multi-level functioning interface framework for DER models

DEFF Research Database (Denmark)

Han, Xue; Bindner, Henrik W.; You, Shi

2013-01-01

The paper summarises several modelling applications of distributed energy resources (DERs) for various purposes, and describes the related operational issues regarding the complexity of the future distribution grid. Furthermore, a multi-level functioning interface framework is proposed for DER mo....... The information mapping for photovoltaic panel (PV) modelling is also provided as an example....

Generalized Boolean logic Driven Markov Processes: A powerful modeling framework for Model-Based Safety Analysis of dynamic repairable and reconfigurable systems

International Nuclear Information System (INIS)

Piriou, Pierre-Yves; Faure, Jean-Marc; Lesage, Jean-Jacques

2017-01-01

This paper presents a modeling framework that permits to describe in an integrated manner the structure of the critical system to analyze, by using an enriched fault tree, the dysfunctional behavior of its components, by means of Markov processes, and the reconfiguration strategies that have been planned to ensure safety and availability, with Moore machines. This framework has been developed from BDMP (Boolean logic Driven Markov Processes), a previous framework for dynamic repairable systems. First, the contribution is motivated by pinpointing the limitations of BDMP to model complex reconfiguration strategies and the failures of the control of these strategies. The syntax and semantics of GBDMP (Generalized Boolean logic Driven Markov Processes) are then formally defined; in particular, an algorithm to analyze the dynamic behavior of a GBDMP model is developed. The modeling capabilities of this framework are illustrated on three representative examples. Last, qualitative and quantitative analysis of GDBMP models highlight the benefits of the approach.

A Community Framework for Integrative, Coupled Modeling of Human-Earth Systems

Science.gov (United States)

Barton, C. M.; Nelson, G. C.; Tucker, G. E.; Lee, A.; Porter, C.; Ullah, I.; Hutton, E.; Hoogenboom, G.; Rogers, K. G.; Pritchard, C.

2017-12-01

We live today in a humanized world, where critical zone dynamics are driven by coupled human and biophysical processes. First generation modeling platforms have been invaluable in providing insight into dynamics of biophysical systems and social systems. But to understand today's humanized planet scientifically and to manage it sustainably, we need integrative modeling of this coupled human-Earth system. To address both scientific and policy questions, we also need modeling that can represent variable combinations of human-Earth system processes at multiple scales. Simply adding more code needed to do this to large, legacy first generation models is impractical, expensive, and will make them even more difficult to evaluate or understand. We need an approach to modeling that mirrors and benefits from the architecture of the complexly coupled systems we hope to model. Building on a series of international workshops over the past two years, we present a community framework to enable and support an ecosystem of diverse models as components that can be interconnected as needed to facilitate understanding of a range of complex human-earth systems interactions. Models are containerized in Docker to make them platform independent. A Basic Modeling Interface and Standard Names ontology (developed by the Community Surface Dynamics Modeling System) is applied to make them interoperable. They are then transformed into RESTful micro-services to allow them to be connected and run in a browser environment. This enables a flexible, multi-scale modeling environment to help address diverse issues with combinations of smaller, focused, component models that are easier to understand and evaluate. We plan to develop, deploy, and maintain this framework for integrated, coupled modeling in an open-source collaborative development environment that can democratize access to advanced technology and benefit from diverse global participation in model development. We also present an initial

Developing a clinical utility framework to evaluate prediction models in radiogenomics

Science.gov (United States)

Wu, Yirong; Liu, Jie; Munoz del Rio, Alejandro; Page, David C.; Alagoz, Oguzhan; Peissig, Peggy; Onitilo, Adedayo A.; Burnside, Elizabeth S.

2015-03-01

Combining imaging and genetic information to predict disease presence and behavior is being codified into an emerging discipline called "radiogenomics." Optimal evaluation methodologies for radiogenomics techniques have not been established. We aim to develop a clinical decision framework based on utility analysis to assess prediction models for breast cancer. Our data comes from a retrospective case-control study, collecting Gail model risk factors, genetic variants (single nucleotide polymorphisms-SNPs), and mammographic features in Breast Imaging Reporting and Data System (BI-RADS) lexicon. We first constructed three logistic regression models built on different sets of predictive features: (1) Gail, (2) Gail+SNP, and (3) Gail+SNP+BI-RADS. Then, we generated ROC curves for three models. After we assigned utility values for each category of findings (true negative, false positive, false negative and true positive), we pursued optimal operating points on ROC curves to achieve maximum expected utility (MEU) of breast cancer diagnosis. We used McNemar's test to compare the predictive performance of the three models. We found that SNPs and BI-RADS features augmented the baseline Gail model in terms of the area under ROC curve (AUC) and MEU. SNPs improved sensitivity of the Gail model (0.276 vs. 0.147) and reduced specificity (0.855 vs. 0.912). When additional mammographic features were added, sensitivity increased to 0.457 and specificity to 0.872. SNPs and mammographic features played a significant role in breast cancer risk estimation (p-value < 0.001). Our decision framework comprising utility analysis and McNemar's test provides a novel framework to evaluate prediction models in the realm of radiogenomics.

A phenomenological memristor model for synaptic memory and learning behaviors

Institute of Scientific and Technical Information of China (English)

Nan Shao; Sheng-Bing Zhang; Shu-Yuan Shao

2017-01-01

Properties that are similar to the memory and learning functions in biological systems have been observed and reported in the experimental studies of memristors fabricated by different materials.These properties include the forgetting effect,the transition from short-term memory (STM) to long-term memory (LTM),learning-experience behavior,etc.The mathematical model of this kind of memristor would be very important for its theoretical analysis and application design.In our analysis of the existing memristor model with these properties,we find that some behaviors of the model are inconsistent with the reported experimental observations.A phenomenological memristor model is proposed for this kind of memristor.The model design is based on the forgetting effect and STM-to-LTM transition since these behaviors are two typical properties of these memristors.Further analyses of this model show that this model can also be used directly or modified to describe other experimentally observed behaviors.Simulations show that the proposed model can give a better description of the reported memory and learning behaviors of this kind of memristor than the existing model.

Composable Framework Support for Software-FMEA Through Model Execution

Science.gov (United States)

Kocsis, Imre; Patricia, Andras; Brancati, Francesco; Rossi, Francesco

2016-08-01

Performing Failure Modes and Effect Analysis (FMEA) during software architecture design is becoming a basic requirement in an increasing number of domains; however, due to the lack of standardized early design phase model execution, classic SW-FMEA approaches carry significant risks and are human effort-intensive even in processes that use Model-Driven Engineering.Recently, modelling languages with standardized executable semantics have emerged. Building on earlier results, this paper describes framework support for generating executable error propagation models from such models during software architecture design. The approach carries the promise of increased precision, decreased risk and more automated execution for SW-FMEA during dependability- critical system development.

A computational framework for modeling targets as complex adaptive systems

Science.gov (United States)

Santos, Eugene; Santos, Eunice E.; Korah, John; Murugappan, Vairavan; Subramanian, Suresh

2017-05-01

Modeling large military targets is a challenge as they can be complex systems encompassing myriad combinations of human, technological, and social elements that interact, leading to complex behaviors. Moreover, such targets have multiple components and structures, extending across multiple spatial and temporal scales, and are in a state of change, either in response to events in the environment or changes within the system. Complex adaptive system (CAS) theory can help in capturing the dynamism, interactions, and more importantly various emergent behaviors, displayed by the targets. However, a key stumbling block is incorporating information from various intelligence, surveillance and reconnaissance (ISR) sources, while dealing with the inherent uncertainty, incompleteness and time criticality of real world information. To overcome these challenges, we present a probabilistic reasoning network based framework called complex adaptive Bayesian Knowledge Base (caBKB). caBKB is a rigorous, overarching and axiomatic framework that models two key processes, namely information aggregation and information composition. While information aggregation deals with the union, merger and concatenation of information and takes into account issues such as source reliability and information inconsistencies, information composition focuses on combining information components where such components may have well defined operations. Since caBKBs can explicitly model the relationships between information pieces at various scales, it provides unique capabilities such as the ability to de-aggregate and de-compose information for detailed analysis. Using a scenario from the Network Centric Operations (NCO) domain, we will describe how our framework can be used for modeling targets with a focus on methodologies for quantifying NCO performance metrics.

VHDL-AMS Simulation Framework for Molecular-FET Device-to-Circuit Modeling and Design

Directory of Open Access Journals (Sweden)

Mariagrazia Graziano

2018-01-01

Full Text Available We concentrate on Molecular-FET as a device and present a new modular framework based on VHDL-AMS. We have implemented different Molecular-FET models within the framework. The framework allows comparison between the models in terms of the capability to calculate accurate I-V characteristics. It also provides the option to analyze the impact of Molecular-FET and its implementation in the circuit with the extension of its use in an architecture based on the crossbar configuration. This analysis evidences the effect of choices of technological parameters, the ability of models to capture the impact of physical quantities, and the importance of considering defects at circuit fabrication level. The comparison tackles the computational efforts of different models and techniques and discusses the trade-off between accuracy and performance as a function of the circuit analysis final requirements. We prove this methodology using three different models and test them on a 16-bit tree adder included in Pentium 4 that, to the best of our knowledge, is the biggest circuits based on molecular device ever designed and analyzed.

A Modelling Framework for Conventional and Heat Integrated Distillation Columns

DEFF Research Database (Denmark)

Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens

2013-01-01

of hydrocarbons such as separations of equimolar mixtures of benzene/toluene or propane/propene described by simple models, a generic, modular, model framework is presented in this work. At present, the framework is able to describe a conventional distillation column, a mechanical vapor recompression column......Diabatic operation of distillation columns can lead to signicant reductions in energy utilization and operation cost compared to conventional (adiabatic) distillation columns, at an expense of an increased complexity of design and operation. The earliest diabatic distillation conguration dates back...... to the late 70s, and various dierent congurations have appeared since. However, at present, no full-scale diabatic distillation columns are currently operating in the industry. Current studies related to alternative distillation congurations report very dierent gures for potential energy savings which...

Analysis of an ordered, comprehensive STM mutant library in infectious Borrelia burgdorferi: insights into the genes required for mouse infectivity.

Directory of Open Access Journals (Sweden)

Tao Lin

Full Text Available The identification of genes important in the pathogenesis of Lyme disease Borrelia has been hampered by exceedingly low transformation rates in low-passage, infectious organisms. Using the infectious, moderately transformable B. burgdorferi derivative 5A18NP1 and signature-tagged versions of the Himar1 transposon vector pGKT, we have constructed a defined transposon library for the efficient genome-wide investigation of genes required for wild-type pathogenesis, in vitro growth, physiology, morphology, and plasmid replication. To facilitate analysis, the insertion sites of 4,479 transposon mutants were determined by sequencing. The transposon insertions were widely distributed across the entire B. burgdorferi genome, with an average of 2.68 unique insertion sites per kb DNA. The 10 linear plasmids and 9 circular plasmids had insertions in 33 to 100 percent of their predicted genes. In contrast, only 35% of genes in the 910 kb linear chromosome had incapacitating insertions; therefore, the remaining 601 chromosomal genes may represent essential gene candidates. In initial signature-tagged mutagenesis (STM analyses, 434 mutants were examined at multiple tissue sites for infectivity in mice using a semi-quantitative, Luminex-based DNA detection method. Examples of genes found to be important in mouse infectivity included those involved in motility, chemotaxis, the phosphoenolpyruvate phosphotransferase system, and other transporters, as well as putative plasmid maintenance genes. Availability of this ordered STM library and a high-throughput screening method is expected to lead to efficient assessment of the roles of B. burgdorferi genes in the infectious cycle and pathogenesis of Lyme disease.

A Stochastic Hybrid Systems framework for analysis of Markov reward models

International Nuclear Information System (INIS)

Dhople, S.V.; DeVille, L.; Domínguez-García, A.D.

2014-01-01

In this paper, we propose a framework to analyze Markov reward models, which are commonly used in system performability analysis. The framework builds on a set of analytical tools developed for a class of stochastic processes referred to as Stochastic Hybrid Systems (SHS). The state space of an SHS is comprised of: (i) a discrete state that describes the possible configurations/modes that a system can adopt, which includes the nominal (non-faulty) operational mode, but also those operational modes that arise due to component faults, and (ii) a continuous state that describes the reward. Discrete state transitions are stochastic, and governed by transition rates that are (in general) a function of time and the value of the continuous state. The evolution of the continuous state is described by a stochastic differential equation and reward measures are defined as functions of the continuous state. Additionally, each transition is associated with a reset map that defines the mapping between the pre- and post-transition values of the discrete and continuous states; these mappings enable the definition of impulses and losses in the reward. The proposed SHS-based framework unifies the analysis of a variety of previously studied reward models. We illustrate the application of the framework to performability analysis via analytical and numerical examples

Service business model framework and the service innovation scope

NARCIS (Netherlands)

van der Aa, W.; van der Rhee, B.; Victorino, L.

2011-01-01

In this paper we present a framework for service business models. We build on three streams of research. The first stream is the service management and marketing literature that focuses on the specific challenges of managing a service business. The second stream consists of research on e-business

Uncertainty in the environmental modelling process – A framework and guidance

NARCIS (Netherlands)

Refsgaard, J.C.; van der Sluijs, J.P.|info:eu-repo/dai/nl/073427489; Hojberg, A.L.; Vanrolleghem, P.

2007-01-01

A terminology and typology of uncertainty is presented together with a framework for the modelling process, its interaction with the broader water management process and the role of uncertainty at different stages in the modelling processes. Brief reviews have been made of 14 different (partly

TP-model transformation-based-control design frameworks

CERN Document Server

Baranyi, Péter

2016-01-01

This book covers new aspects and frameworks of control, design, and optimization based on the TP model transformation and its various extensions. The author outlines the three main steps of polytopic and LMI based control design: 1) development of the qLPV state-space model, 2) generation of the polytopic model; and 3) application of LMI to derive controller and observer. He goes on to describe why literature has extensively studied LMI design, but has not focused much on the second step, in part because the generation and manipulation of the polytopic form was not tractable in many cases. The author then shows how the TP model transformation facilitates this second step and hence reveals new directions, leading to powerful design procedures and the formulation of new questions. The chapters of this book, and the complex dynamical control tasks which they cover, are organized so as to present and analyze the beneficial aspect of the family of approaches (control, design, and optimization). Additionally, the b...

A scalable delivery framework and a pricing model for streaming media with advertisements

Science.gov (United States)

Al-Hadrusi, Musab; Sarhan, Nabil J.

2008-01-01

This paper presents a delivery framework for streaming media with advertisements and an associated pricing model. The delivery model combines the benefits of periodic broadcasting and stream merging. The advertisements' revenues are used to subsidize the price of the media content. The pricing is determined based on the total ads' viewing time. Moreover, this paper presents an efficient ad allocation scheme and three modified scheduling policies that are well suited to the proposed delivery framework. Furthermore, we study the effectiveness of the delivery framework and various scheduling polices through extensive simulation in terms of numerous metrics, including customer defection probability, average number of ads viewed per client, price, arrival rate, profit, and revenue.

Programming Entity Framework

CERN Document Server

Lerman, Julia

2010-01-01

Get a thorough introduction to ADO.NET Entity Framework 4 -- Microsoft's core framework for modeling and interacting with data in .NET applications. The second edition of this acclaimed guide provides a hands-on tour of the framework latest version in Visual Studio 2010 and .NET Framework 4. Not only will you learn how to use EF4 in a variety of applications, you'll also gain a deep understanding of its architecture and APIs. Written by Julia Lerman, the leading independent authority on the framework, Programming Entity Framework covers it all -- from the Entity Data Model and Object Service

Assessing uncertainties in global cropland futures using a conditional probabilistic modelling framework

NARCIS (Netherlands)

Engström, Kerstin; Olin, Stefan; Rounsevell, Mark D A; Brogaard, Sara; Van Vuuren, Detlef P.; Alexander, Peter; Murray-Rust, Dave; Arneth, Almut

2016-01-01

We present a modelling framework to simulate probabilistic futures of global cropland areas that are conditional on the SSP (shared socio-economic pathway) scenarios. Simulations are based on the Parsimonious Land Use Model (PLUM) linked with the global dynamic vegetation model LPJ-GUESS

Land-Atmosphere Coupling in the Multi-Scale Modelling Framework

Science.gov (United States)

Kraus, P. M.; Denning, S.

2015-12-01

The Multi-Scale Modeling Framework (MMF), in which cloud-resolving models (CRMs) are embedded within general circulation model (GCM) gridcells to serve as the model's cloud parameterization, has offered a number of benefits to GCM simulations. The coupling of these cloud-resolving models directly to land surface model instances, rather than passing averaged atmospheric variables to a single instance of a land surface model, the logical next step in model development, has recently been accomplished. This new configuration offers conspicuous improvements to estimates of precipitation and canopy through-fall, but overall the model exhibits warm surface temperature biases and low productivity.This work presents modifications to a land-surface model that take advantage of the new multi-scale modeling framework, and accommodate the change in spatial scale from a typical GCM range of ~200 km to the CRM grid-scale of 4 km.A parameterization is introduced to apportion modeled surface radiation into direct-beam and diffuse components. The diffuse component is then distributed among the land-surface model instances within each GCM cell domain. This substantially reduces the number excessively low light values provided to the land-surface model when cloudy conditions are modeled in the CRM, associated with its 1-D radiation scheme. The small spatial scale of the CRM, ~4 km, as compared with the typical ~200 km GCM scale, provides much more realistic estimates of precipitation intensity, this permits the elimination of a model parameterization of canopy through-fall. However, runoff at such scales can no longer be considered as an immediate flow to the ocean. Allowing sub-surface water flow between land-surface instances within the GCM domain affords better realism and also reduces temperature and productivity biases.The MMF affords a number of opportunities to land-surface modelers, providing both the advantages of direct simulation at the 4 km scale and a much reduced

Designing a framework to design a business model for the 'bottom of the pyramid' population

NARCIS (Netherlands)

Ver loren van Themaat, Tanye; Schutte, Cornelius S.L.; Lutters, Diederick

2013-01-01

This article presents a framework for developing and designing a business model to target the bottom of the pyramid (BoP) population. Using blue ocean strategy and business model literature, integrated with research on the BoP, the framework offers a systematic approach for organisations to analyse

An Active Lattice Model in a Bayesian Framework

DEFF Research Database (Denmark)

Carstensen, Jens Michael

1996-01-01

A Markov Random Field is used as a structural model of a deformable rectangular lattice. When used as a template prior in a Bayesian framework this model is powerful for making inferences about lattice structures in images. The model assigns maximum probability to the perfect regular lattice...... by penalizing deviations in alignment and lattice node distance. The Markov random field represents prior knowledge about the lattice structure, and through an observation model that incorporates the visual appearance of the nodes, we can simulate realizations from the posterior distribution. A maximum...... a posteriori (MAP) estimate, found by simulated annealing, is used as the reconstructed lattice. The model was developed as a central part of an algorithm for automatic analylsis of genetic experiments, positioned in a lattice structure by a robot. The algorithm has been successfully applied to many images...

Surface structure and electronic states of epitaxial β-FeSi.sub.2./sub.(100)/Si(001) thin films: Combined quantitative LEED, ab initio DFT, and STM study

Czech Academy of Sciences Publication Activity Database

Romanyuk, Olexandr; Hattori, K.; Someta, M.; Daimon, H.

2014-01-01

Roč. 90, č. 15 (2014), "155305-1"-"155305-9" ISSN 1098-0121 Grant - others:AVČR(CZ) M100101201; Murata Science Foundation(JP) Project n. 00295 Institutional support: RVO:68378271 Keywords : iron silicide * LEED I-V * DFT * STM * surface reconstruction * surface states Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

A Model-Driven Co-Design Framework for Fusing Control and Scheduling Viewpoints.

Science.gov (United States)

Sundharam, Sakthivel Manikandan; Navet, Nicolas; Altmeyer, Sebastian; Havet, Lionel

2018-02-20

Model-Driven Engineering (MDE) is widely applied in the industry to develop new software functions and integrate them into the existing run-time environment of a Cyber-Physical System (CPS). The design of a software component involves designers from various viewpoints such as control theory, software engineering, safety, etc. In practice, while a designer from one discipline focuses on the core aspects of his field (for instance, a control engineer concentrates on designing a stable controller), he neglects or considers less importantly the other engineering aspects (for instance, real-time software engineering or energy efficiency). This may cause some of the functional and non-functional requirements not to be met satisfactorily. In this work, we present a co-design framework based on timing tolerance contract to address such design gaps between control and real-time software engineering. The framework consists of three steps: controller design, verified by jitter margin analysis along with co-simulation, software design verified by a novel schedulability analysis, and the run-time verification by monitoring the execution of the models on target. This framework builds on CPAL (Cyber-Physical Action Language), an MDE design environment based on model-interpretation, which enforces a timing-realistic behavior in simulation through timing and scheduling annotations. The application of our framework is exemplified in the design of an automotive cruise control system.

A Model-Driven Co-Design Framework for Fusing Control and Scheduling Viewpoints

Science.gov (United States)

Navet, Nicolas; Havet, Lionel

2018-01-01

Model-Driven Engineering (MDE) is widely applied in the industry to develop new software functions and integrate them into the existing run-time environment of a Cyber-Physical System (CPS). The design of a software component involves designers from various viewpoints such as control theory, software engineering, safety, etc. In practice, while a designer from one discipline focuses on the core aspects of his field (for instance, a control engineer concentrates on designing a stable controller), he neglects or considers less importantly the other engineering aspects (for instance, real-time software engineering or energy efficiency). This may cause some of the functional and non-functional requirements not to be met satisfactorily. In this work, we present a co-design framework based on timing tolerance contract to address such design gaps between control and real-time software engineering. The framework consists of three steps: controller design, verified by jitter margin analysis along with co-simulation, software design verified by a novel schedulability analysis, and the run-time verification by monitoring the execution of the models on target. This framework builds on CPAL (Cyber-Physical Action Language), an MDE design environment based on model-interpretation, which enforces a timing-realistic behavior in simulation through timing and scheduling annotations. The application of our framework is exemplified in the design of an automotive cruise control system. PMID:29461489

A Model-Driven Co-Design Framework for Fusing Control and Scheduling Viewpoints

Directory of Open Access Journals (Sweden)

Sakthivel Manikandan Sundharam

2018-02-01

Full Text Available Model-Driven Engineering (MDE is widely applied in the industry to develop new software functions and integrate them into the existing run-time environment of a Cyber-Physical System (CPS. The design of a software component involves designers from various viewpoints such as control theory, software engineering, safety, etc. In practice, while a designer from one discipline focuses on the core aspects of his field (for instance, a control engineer concentrates on designing a stable controller, he neglects or considers less importantly the other engineering aspects (for instance, real-time software engineering or energy efficiency. This may cause some of the functional and non-functional requirements not to be met satisfactorily. In this work, we present a co-design framework based on timing tolerance contract to address such design gaps between control and real-time software engineering. The framework consists of three steps: controller design, verified by jitter margin analysis along with co-simulation, software design verified by a novel schedulability analysis, and the run-time verification by monitoring the execution of the models on target. This framework builds on CPAL (Cyber-Physical Action Language, an MDE design environment based on model-interpretation, which enforces a timing-realistic behavior in simulation through timing and scheduling annotations. The application of our framework is exemplified in the design of an automotive cruise control system.

A modeling framework for investment planning in interdependent infrastructures in multi-hazard environments.

Energy Technology Data Exchange (ETDEWEB)

Brown, Nathanael J. K.; Gearhart, Jared Lee; Jones, Dean A.; Nozick, Linda Karen; Prince, Michael

2013-09-01

Currently, much of protection planning is conducted separately for each infrastructure and hazard. Limited funding requires a balance of expenditures between terrorism and natural hazards based on potential impacts. This report documents the results of a Laboratory Directed Research & Development (LDRD) project that created a modeling framework for investment planning in interdependent infrastructures focused on multiple hazards, including terrorism. To develop this framework, three modeling elements were integrated: natural hazards, terrorism, and interdependent infrastructures. For natural hazards, a methodology was created for specifying events consistent with regional hazards. For terrorism, we modeled the terrorists actions based on assumptions regarding their knowledge, goals, and target identification strategy. For infrastructures, we focused on predicting post-event performance due to specific terrorist attacks and natural hazard events, tempered by appropriate infrastructure investments. We demonstrate the utility of this framework with various examples, including protection of electric power, roadway, and hospital networks.

A model-based framework for the analysis of team communication in nuclear power plants

International Nuclear Information System (INIS)

Chung, Yun Hyung; Yoon, Wan Chul; Min, Daihwan

2009-01-01

Advanced human-machine interfaces are rapidly changing the interaction between humans and systems, with the level of abstraction of the presented information, the human task characteristics, and the modes of communication all affected. To accommodate the changes in the human/system co-working environment, an extended communication analysis framework is needed that can describe and relate the tasks, verbal exchanges, and information interface. This paper proposes an extended analytic framework, referred to as the H-H-S (human-human-system) communication analysis framework, which can model the changes in team communication that are emerging in these new working environments. The stage-specific decision-making model and analysis tool of the proposed framework make the analysis of team communication easier by providing visual clues. The usefulness of the proposed framework is demonstrated with an in-depth comparison of the characteristics of communication in the conventional and advanced main control rooms of nuclear power plants

Modeling and simulation of complex systems a framework for efficient agent-based modeling and simulation

CERN Document Server

Siegfried, Robert

2014-01-01

Robert Siegfried presents a framework for efficient agent-based modeling and simulation of complex systems. He compares different approaches for describing structure and dynamics of agent-based models in detail. Based on this evaluation the author introduces the "General Reference Model for Agent-based Modeling and Simulation" (GRAMS). Furthermore he presents parallel and distributed simulation approaches for execution of agent-based models -from small scale to very large scale. The author shows how agent-based models may be executed by different simulation engines that utilize underlying hard

A General Framework for Portfolio Theory—Part I: Theory and Various Models

Directory of Open Access Journals (Sweden)

Stanislaus Maier-Paape

2018-05-01

Full Text Available Utility and risk are two often competing measurements on the investment success. We show that efficient trade-off between these two measurements for investment portfolios happens, in general, on a convex curve in the two-dimensional space of utility and risk. This is a rather general pattern. The modern portfolio theory of Markowitz (1959 and the capital market pricing model Sharpe (1964, are special cases of our general framework when the risk measure is taken to be the standard deviation and the utility function is the identity mapping. Using our general framework, we also recover and extend the results in Rockafellar et al. (2006, which were already an extension of the capital market pricing model to allow for the use of more general deviation measures. This generalized capital asset pricing model also applies to e.g., when an approximation of the maximum drawdown is considered as a risk measure. Furthermore, the consideration of a general utility function allows for going beyond the “additive” performance measure to a “multiplicative” one of cumulative returns by using the log utility. As a result, the growth optimal portfolio theory Lintner (1965 and the leverage space portfolio theory Vince (2009 can also be understood and enhanced under our general framework. Thus, this general framework allows a unification of several important existing portfolio theories and goes far beyond. For simplicity of presentation, we phrase all for a finite underlying probability space and a one period market model, but generalizations to more complex structures are straightforward.

Computer-aided modeling framework – a generic modeling template for catalytic membrane fixed bed reactors

DEFF Research Database (Denmark)

Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

2013-01-01

and users to generate and test models systematically, efficiently and reliably. In this way, development of products and processes can be faster, cheaper and very efficient. In this contribution, as part of the framework a generic modeling template for the systematic derivation of problem specific catalytic...... membrane fixed bed models is developed. The application of the modeling template is highlighted with a case study related to the modeling of a catalytic membrane reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene....

A device model framework for magnetoresistive sensors based on the Stoner–Wohlfarth model

International Nuclear Information System (INIS)

Bruckner, Florian; Bergmair, Bernhard; Brueckl, Hubert; Palmesi, Pietro; Buder, Anton; Satz, Armin; Suess, Dieter

2015-01-01

The Stoner–Wohlfarth (SW) model provides an efficient analytical model to describe the behavior of magnetic layers within magnetoresistive sensors. Combined with a proper description of magneto-resistivity an efficient device model can be derived, which is necessary for an optimal electric circuit design. Parameters of the model are determined by global optimization of an application specific cost function which contains measured resistances for different applied fields. Several application cases are examined and used for validation of the device model. - Highlights: • An efficient device model framework for various types of magnetoresistive sensors is presented. • The model is based on the analytical solution of the Stoner–Wohlfarth model. • Numerical optimization methods provide optimal model parameters for a different application cases. • The model is applied to several application cases and is able to reproduce measured hysteresis and swiching behavior

Development of a landscape integrity model framework to support regional conservation planning.

Science.gov (United States)

Walston, Leroy J; Hartmann, Heidi M

2018-01-01

Land managers increasingly rely upon landscape assessments to understand the status of natural resources and identify conservation priorities. Many of these landscape planning efforts rely on geospatial models that characterize the ecological integrity of the landscape. These general models utilize measures of habitat disturbance and human activity to map indices of ecological integrity. We built upon these modeling frameworks by developing a Landscape Integrity Index (LII) model using geospatial datasets of the human footprint, as well as incorporation of other indicators of ecological integrity such as biodiversity and vegetation departure. Our LII model serves as a general indicator of ecological integrity in a regional context of human activity, biodiversity, and change in habitat composition. We also discuss the application of the LII framework in two related coarse-filter landscape conservation approaches to expand the size and connectedness of protected areas as regional mitigation for anticipated land-use changes.

GLOFRIM v1.0 - A globally applicable computational framework for integrated hydrological-hydrodynamic modelling

Science.gov (United States)

Hoch, Jannis M.; Neal, Jeffrey C.; Baart, Fedor; van Beek, Rens; Winsemius, Hessel C.; Bates, Paul D.; Bierkens, Marc F. P.

2017-10-01

We here present GLOFRIM, a globally applicable computational framework for integrated hydrological-hydrodynamic modelling. GLOFRIM facilitates spatially explicit coupling of hydrodynamic and hydrologic models and caters for an ensemble of models to be coupled. It currently encompasses the global hydrological model PCR-GLOBWB as well as the hydrodynamic models Delft3D Flexible Mesh (DFM; solving the full shallow-water equations and allowing for spatially flexible meshing) and LISFLOOD-FP (LFP; solving the local inertia equations and running on regular grids). The main advantages of the framework are its open and free access, its global applicability, its versatility, and its extensibility with other hydrological or hydrodynamic models. Before applying GLOFRIM to an actual test case, we benchmarked both DFM and LFP for a synthetic test case. Results show that for sub-critical flow conditions, discharge response to the same input signal is near-identical for both models, which agrees with previous studies. We subsequently applied the framework to the Amazon River basin to not only test the framework thoroughly, but also to perform a first-ever benchmark of flexible and regular grids on a large-scale. Both DFM and LFP produce comparable results in terms of simulated discharge with LFP exhibiting slightly higher accuracy as expressed by a Kling-Gupta efficiency of 0.82 compared to 0.76 for DFM. However, benchmarking inundation extent between DFM and LFP over the entire study area, a critical success index of 0.46 was obtained, indicating that the models disagree as often as they agree. Differences between models in both simulated discharge and inundation extent are to a large extent attributable to the gridding techniques employed. In fact, the results show that both the numerical scheme of the inundation model and the gridding technique can contribute to deviations in simulated inundation extent as we control for model forcing and boundary conditions. This study shows

Reconfigurable Model Execution in the OpenMDAO Framework

Science.gov (United States)

Hwang, John T.

2017-01-01

NASA's OpenMDAO framework facilitates constructing complex models and computing their derivatives for multidisciplinary design optimization. Decomposing a model into components that follow a prescribed interface enables OpenMDAO to assemble multidisciplinary derivatives from the component derivatives using what amounts to the adjoint method, direct method, chain rule, global sensitivity equations, or any combination thereof, using the MAUD architecture. OpenMDAO also handles the distribution of processors among the disciplines by hierarchically grouping the components, and it automates the data transfer between components that are on different processors. These features have made OpenMDAO useful for applications in aircraft design, satellite design, wind turbine design, and aircraft engine design, among others. This paper presents new algorithms for OpenMDAO that enable reconfigurable model execution. This concept refers to dynamically changing, during execution, one or more of: the variable sizes, solution algorithm, parallel load balancing, or set of variables-i.e., adding and removing components, perhaps to switch to a higher-fidelity sub-model. Any component can reconfigure at any point, even when running in parallel with other components, and the reconfiguration algorithm presented here performs the synchronized updates to all other components that are affected. A reconfigurable software framework for multidisciplinary design optimization enables new adaptive solvers, adaptive parallelization, and new applications such as gradient-based optimization with overset flow solvers and adaptive mesh refinement. Benchmarking results demonstrate the time savings for reconfiguration compared to setting up the model again from scratch, which can be significant in large-scale problems. Additionally, the new reconfigurability feature is applied to a mission profile optimization problem for commercial aircraft where both the parametrization of the mission profile and the

Surgical model-view-controller simulation software framework for local and collaborative applications.

Science.gov (United States)

Maciel, Anderson; Sankaranarayanan, Ganesh; Halic, Tansel; Arikatla, Venkata Sreekanth; Lu, Zhonghua; De, Suvranu

2011-07-01

Surgical simulations require haptic interactions and collaboration in a shared virtual environment. A software framework for decoupled surgical simulation based on a multi-controller and multi-viewer model-view-controller (MVC) pattern was developed and tested. A software framework for multimodal virtual environments was designed, supporting both visual interactions and haptic feedback while providing developers with an integration tool for heterogeneous architectures maintaining high performance, simplicity of implementation, and straightforward extension. The framework uses decoupled simulation with updates of over 1,000 Hz for haptics and accommodates networked simulation with delays of over 1,000 ms without performance penalty. The simulation software framework was implemented and was used to support the design of virtual reality-based surgery simulation systems. The framework supports the high level of complexity of such applications and the fast response required for interaction with haptics. The efficacy of the framework was tested by implementation of a minimally invasive surgery simulator. A decoupled simulation approach can be implemented as a framework to handle simultaneous processes of the system at the various frame rates each process requires. The framework was successfully used to develop collaborative virtual environments (VEs) involving geographically distributed users connected through a network, with the results comparable to VEs for local users.

A Framework for Bioacoustic Vocalization Analysis Using Hidden Markov Models

Directory of Open Access Journals (Sweden)

Ebenezer Out-Nyarko

2009-11-01

Full Text Available Using Hidden Markov Models (HMMs as a recognition framework for automatic classification of animal vocalizations has a number of benefits, including the ability to handle duration variability through nonlinear time alignment, the ability to incorporate complex language or recognition constraints, and easy extendibility to continuous recognition and detection domains. In this work, we apply HMMs to several different species and bioacoustic tasks using generalized spectral features that can be easily adjusted across species and HMM network topologies suited to each task. This experimental work includes a simple call type classification task using one HMM per vocalization for repertoire analysis of Asian elephants, a language-constrained song recognition task using syllable models as base units for ortolan bunting vocalizations, and a stress stimulus differentiation task in poultry vocalizations using a non-sequential model via a one-state HMM with Gaussian mixtures. Results show strong performance across all tasks and illustrate the flexibility of the HMM framework for a variety of species, vocalization types, and analysis tasks.

A hybrid parallel framework for the cellular Potts model simulations

Energy Technology Data Exchange (ETDEWEB)

Jiang, Yi [Los Alamos National Laboratory; He, Kejing [SOUTH CHINA UNIV; Dong, Shoubin [SOUTH CHINA UNIV

2009-01-01

The Cellular Potts Model (CPM) has been widely used for biological simulations. However, most current implementations are either sequential or approximated, which can't be used for large scale complex 3D simulation. In this paper we present a hybrid parallel framework for CPM simulations. The time-consuming POE solving, cell division, and cell reaction operation are distributed to clusters using the Message Passing Interface (MPI). The Monte Carlo lattice update is parallelized on shared-memory SMP system using OpenMP. Because the Monte Carlo lattice update is much faster than the POE solving and SMP systems are more and more common, this hybrid approach achieves good performance and high accuracy at the same time. Based on the parallel Cellular Potts Model, we studied the avascular tumor growth using a multiscale model. The application and performance analysis show that the hybrid parallel framework is quite efficient. The hybrid parallel CPM can be used for the large scale simulation ({approx}10{sup 8} sites) of complex collective behavior of numerous cells ({approx}10{sup 6}).

A hydroeconomic modeling framework for optimal integrated management of forest and water

Science.gov (United States)

Garcia-Prats, Alberto; del Campo, Antonio D.; Pulido-Velazquez, Manuel

2016-10-01

Forests play a determinant role in the hydrologic cycle, with water being the most important ecosystem service they provide in semiarid regions. However, this contribution is usually neither quantified nor explicitly valued. The aim of this study is to develop a novel hydroeconomic modeling framework for assessing and designing the optimal integrated forest and water management for forested catchments. The optimization model explicitly integrates changes in water yield in the stands (increase in groundwater recharge) induced by forest management and the value of the additional water provided to the system. The model determines the optimal schedule of silvicultural interventions in the stands of the catchment in order to maximize the total net benefit in the system. Canopy cover and biomass evolution over time were simulated using growth and yield allometric equations specific for the species in Mediterranean conditions. Silvicultural operation costs according to stand density and canopy cover were modeled using local cost databases. Groundwater recharge was simulated using HYDRUS, calibrated and validated with data from the experimental plots. In order to illustrate the presented modeling framework, a case study was carried out in a planted pine forest (Pinus halepensis Mill.) located in south-western Valencia province (Spain). The optimized scenario increased groundwater recharge. This novel modeling framework can be used in the design of a "payment for environmental services" scheme in which water beneficiaries could contribute to fund and promote efficient forest management operations.

A Framework to Implement IoT Network Performance Modelling Techniques for Network Solution Selection.

Science.gov (United States)

Delaney, Declan T; O'Hare, Gregory M P

2016-12-01

No single network solution for Internet of Things (IoT) networks can provide the required level of Quality of Service (QoS) for all applications in all environments. This leads to an increasing number of solutions created to fit particular scenarios. Given the increasing number and complexity of solutions available, it becomes difficult for an application developer to choose the solution which is best suited for an application. This article introduces a framework which autonomously chooses the best solution for the application given the current deployed environment. The framework utilises a performance model to predict the expected performance of a particular solution in a given environment. The framework can then choose an apt solution for the application from a set of available solutions. This article presents the framework with a set of models built using data collected from simulation. The modelling technique can determine with up to 85% accuracy the solution which performs the best for a particular performance metric given a set of solutions. The article highlights the fractured and disjointed practice currently in place for examining and comparing communication solutions and aims to open a discussion on harmonising testing procedures so that different solutions can be directly compared and offers a framework to achieve this within IoT networks.

A Framework to Implement IoT Network Performance Modelling Techniques for Network Solution Selection

Directory of Open Access Journals (Sweden)

Declan T. Delaney

2016-12-01

Full Text Available No single network solution for Internet of Things (IoT networks can provide the required level of Quality of Service (QoS for all applications in all environments. This leads to an increasing number of solutions created to fit particular scenarios. Given the increasing number and complexity of solutions available, it becomes difficult for an application developer to choose the solution which is best suited for an application. This article introduces a framework which autonomously chooses the best solution for the application given the current deployed environment. The framework utilises a performance model to predict the expected performance of a particular solution in a given environment. The framework can then choose an apt solution for the application from a set of available solutions. This article presents the framework with a set of models built using data collected from simulation. The modelling technique can determine with up to 85% accuracy the solution which performs the best for a particular performance metric given a set of solutions. The article highlights the fractured and disjointed practice currently in place for examining and comparing communication solutions and aims to open a discussion on harmonising testing procedures so that different solutions can be directly compared and offers a framework to achieve this within IoT networks.

Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System: Modeling Ion Outflow

Science.gov (United States)

Schunk, R. W.; Barakat, A. R.; Eccles, V.; Karimabadi, H.; Omelchenko, Y.; Khazanov, G. V.; Glocer, A.; Kistler, L. M.

2014-12-01

A Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System is being developed in order to provide a rigorous approach to modeling the interaction of hot and cold particle interactions. The framework will include ion and electron kinetic species in the ionosphere, plasmasphere and polar wind, and kinetic ion, super-thermal electron and fluid electron species in the magnetosphere. The framework is ideally suited to modeling ion outflow from the ionosphere and plasmasphere, where a wide range for fluid and kinetic processes are important. These include escaping ion interactions with (1) photoelectrons, (2) cusp/auroral waves, double layers, and field-aligned currents, (3) double layers in the polar cap due to the interaction of cold ionospheric and hot magnetospheric electrons, (4) counter-streaming ions, and (5) electromagnetic wave turbulence. The kinetic ion interactions are particularly strong during geomagnetic storms and substorms. The presentation will provide a brief description of the models involved and discuss the effect that kinetic processes have on the ion outflow.

Modeling Geomagnetic Variations using a Machine Learning Framework

Science.gov (United States)

Cheung, C. M. M.; Handmer, C.; Kosar, B.; Gerules, G.; Poduval, B.; Mackintosh, G.; Munoz-Jaramillo, A.; Bobra, M.; Hernandez, T.; McGranaghan, R. M.

2017-12-01

We present a framework for data-driven modeling of Heliophysics time series data. The Solar Terrestrial Interaction Neural net Generator (STING) is an open source python module built on top of state-of-the-art statistical learning frameworks (traditional machine learning methods as well as deep learning). To showcase the capability of STING, we deploy it for the problem of predicting the temporal variation of geomagnetic fields. The data used includes solar wind measurements from the OMNI database and geomagnetic field data taken by magnetometers at US Geological Survey observatories. We examine the predictive capability of different machine learning techniques (recurrent neural networks, support vector machines) for a range of forecasting times (minutes to 12 hours). STING is designed to be extensible to other types of data. We show how STING can be used on large sets of data from different sensors/observatories and adapted to tackle other problems in Heliophysics.

Programming Entity Framework

CERN Document Server

Lerman, Julia

2009-01-01

Programming Entity Framework is a thorough introduction to Microsoft's new core framework for modeling and interacting with data in .NET applications. This highly-acclaimed book not only gives experienced developers a hands-on tour of the Entity Framework and explains its use in a variety of applications, it also provides a deep understanding of its architecture and APIs -- knowledge that will be extremely valuable as you shift to the Entity Framework version in .NET Framework 4.0 and Visual Studio 2010. From the Entity Data Model (EDM) and Object Services to EntityClient and the Metadata Work

Model-Based Policymaking: A Framework to Promote Ethical “Good Practice” in Mathematical Modeling for Public Health Policymaking

Science.gov (United States)

Boden, Lisa A.; McKendrick, Iain J.

2017-01-01

Mathematical models are increasingly relied upon as decision support tools, which estimate risks and generate recommendations to underpin public health policies. However, there are no formal agreements about what constitutes professional competencies or duties in mathematical modeling for public health. In this article, we propose a framework to evaluate whether mathematical models that assess human and animal disease risks and control strategies meet standards consistent with ethical “good practice” and are thus “fit for purpose” as evidence in support of policy. This framework is derived from principles of biomedical ethics: independence, transparency (autonomy), beneficence/non-maleficence, and justice. We identify ethical risks associated with model development and implementation and consider the extent to which scientists are accountable for the translation and communication of model results to policymakers so that the strengths and weaknesses of the scientific evidence base and any socioeconomic and ethical impacts of biased or uncertain predictions are clearly understood. We propose principles to operationalize a framework for ethically sound model development and risk communication between scientists and policymakers. These include the creation of science–policy partnerships to mutually define policy questions and communicate results; development of harmonized international standards for model development; and data stewardship and improvement of the traceability and transparency of models via a searchable archive of policy-relevant models. Finally, we suggest that bespoke ethical advisory groups, with relevant expertise and access to these resources, would be beneficial as a bridge between science and policy, advising modelers of potential ethical risks and providing overview of the translation of modeling advice into policy. PMID:28424768

Designing the Business Models for Circular Economy—Towards the Conceptual Framework

Directory of Open Access Journals (Sweden)

Mateusz Lewandowski

2016-01-01

Full Text Available Switching from the current linear model of economy to a circular one has recently attracted increased attention from major global companies e.g., Google, Unilever, Renault, and policymakers attending the World Economic Forum. The reasons for this are the huge financial, social and environmental benefits. However, the global shift from one model of economy to another also concerns smaller companies on a micro-level. Thus, comprehensive knowledge on designing circular business models is needed to stimulate and foster implementation of the circular economy. Existing business models for the circular economy have limited transferability and there is no comprehensive framework supporting every kind of company in designing a circular business model. This study employs a literature review to identify and classify the circular economy characteristics according to a business model structure. The investigation in the eight sub-domains of research on circular business models was used to redefine the components of the business model canvas in the context of the circular economy. Two new components—the take-back system and adoption factors—have been identified, thereby leading to the conceptualization of an extended framework for the circular business model canvas. Additionally, the triple fit challenge has been recognized as an enabler of the transition towards a circular business model. Some directions for further research have been outlined, as well.

A Graph Based Framework to Model Virus Integration Sites

Directory of Open Access Journals (Sweden)

Raffaele Fronza

2016-01-01

Here, we addressed the challenge to: 1 define the notion of CIS on graph models, 2 demonstrate that the structure of CIS enters in the category of scale-free networks and 3 show that our network approach analyzes CIS dynamically in an integrated systems biology framework using the Retroviral Transposon Tagged Cancer Gene Database (RTCGD as a testing dataset.

Software Engineering Support of the Third Round of Scientific Grand Challenge Investigations: Earth System Modeling Software Framework Survey

Science.gov (United States)

Talbot, Bryan; Zhou, Shu-Jia; Higgins, Glenn; Zukor, Dorothy (Technical Monitor)

2002-01-01

One of the most significant challenges in large-scale climate modeling, as well as in high-performance computing in other scientific fields, is that of effectively integrating many software models from multiple contributors. A software framework facilitates the integration task, both in the development and runtime stages of the simulation. Effective software frameworks reduce the programming burden for the investigators, freeing them to focus more on the science and less on the parallel communication implementation. while maintaining high performance across numerous supercomputer and workstation architectures. This document surveys numerous software frameworks for potential use in Earth science modeling. Several frameworks are evaluated in depth, including Parallel Object-Oriented Methods and Applications (POOMA), Cactus (from (he relativistic physics community), Overture, Goddard Earth Modeling System (GEMS), the National Center for Atmospheric Research Flux Coupler, and UCLA/UCB Distributed Data Broker (DDB). Frameworks evaluated in less detail include ROOT, Parallel Application Workspace (PAWS), and Advanced Large-Scale Integrated Computational Environment (ALICE). A host of other frameworks and related tools are referenced in this context. The frameworks are evaluated individually and also compared with each other.

Business Model Innovation: An Integrative Conceptual Framework

Directory of Open Access Journals (Sweden)

Bernd Wirtz

2017-01-01

Full Text Available Purpose: The point of departure of this exploratory study is the gap between the increasing importance of business model innovation (BMI in science and management and the limited conceptual assistance available. Therefore, the study identi es and explores scattered BMI insights and deduces them into an integrative framework to enhance our understanding about this phenomenon and to present a helpful guidance for researchers and practitioners. Design/Methodology/Approach: The study identi es BMI insights through a literature-based investigation and consolidates them into an integrative BMI framework that presents the key elements and dimensions of BMI as well as their presumed relationships. Findings: The study enhances our understanding about the key elements and dimensions of BMI, presents further conceptual insights into the BMI phenomenon, supplies implications for science and management, and may serve as a helpful guidance for future research. Practical Implications: The presented framework provides managers with a tool to identify critical BMI issues and can serve as a conceptual BMI guideline. Research limitations: Given the vast amount of academic journals, it is unlikely that every applicable scienti c publication is included in the analysis. The illustrative examples are descriptive in nature, and thus do not provide empirical validity. Several implications for future research are provided. Originality/Value: The study’s main contribution lies in the unifying approach of the dispersed BMI knowledge. Since our understanding of BMI is still limited, this study should provide the necessary insights and conceptual assistance to further develop the concept and guide its practical application.

Frameworks for change in healthcare organisations: a formative evaluation of the NHS Change Model.

Science.gov (United States)

Martin, Graham P; Sutton, Elizabeth; Willars, Janet; Dixon-Woods, Mary

2013-08-01

Organisational change in complex healthcare systems is a multifaceted process. The English National Health Service recently introduced a 'Change Model' that seeks to offer an evidence-based framework for guiding change. We report findings from a formative evaluation of the NHS Change Model and make recommendations for those developing the Model and its users. The evaluation involved 28 interviews with managers and clinicians making use of the Change Model in relation to a variety of projects. Interviews were fully transcribed and were analysed using an approach based on the Framework method. Participants saw the Change Model as valuable and practically useful. Fidelity to core principles of the Model was variable: participants often altered the Model, especially when using it to orchestrate the work of others. In challenging organisational contexts, the Change Model was sometimes used to delegitimise opposition rather than identify shared purpose among different interest groups. Those guiding change may benefit from frameworks, guidance and toolkits to structure and inform their planning and activities. Participants' experiences suggested the Change Model has much potential. Further work on its design and on supporting materials may optimise the approach, but its utility rests in particular on organisational cultures that support faithful application. © The Author(s) 2013 Reprints and permissions:]br]sagepub.co.uk/journalsPermissions.nav.

Analyzing and modeling interdisciplinary product development a framework for the analysis of knowledge characteristics and design support

CERN Document Server

Neumann, Frank

2015-01-01

Frank Neumann focuses on establishing a theoretical basis that allows a description of the interplay between individual and collective processes in product development. For this purpose, he introduces the integrated descriptive model of knowledge creation as the first constituent of his research framework. As a second part of the research framework, an analysis and modeling method is proposed that captures the various knowledge conversion activities described by the integrated descriptive model of knowledge creation. Subsequently, this research framework is applied to the analysis of knowledge characteristics of mechatronic product development (MPD). Finally, the results gained from the previous steps are used within a design support system that aims at federating the information and knowledge resources contained in the models published in the various development activities of MPD. Contents Descriptive Model of Knowledge Creation in Interdisciplinary Product Development Research Framework for the Analysis of ...

A framework for quantifying net benefits of alternative prognostic models

OpenAIRE

Rapsomaniki, E.; White, I.R.; Wood, A.M.; Thompson, S.G.; Ford, I.

2012-01-01

New prognostic models are traditionally evaluated using measures of discrimination and risk reclassification, but these do not take full account of the clinical and health economic context. We propose a framework for comparing prognostic models by quantifying the public health impact (net benefit) of the treatment decisions they support, assuming a set of predetermined clinical treatment guidelines. The change in net benefit is more clinically interpretable than changes in traditional measure...

A modelling framework for reclamation planning of oil sands mines in northern Alberta

International Nuclear Information System (INIS)

Shaw, R.D.; Hamilton, H.R.; MacKinnon, M.D.; Gulley, J.R.

1995-01-01

The Reclamation Landscape Model Development Project was initiated in 1991 to develop a modelling framework to assist in oil sands mine reclamation planning. The initial year focused on developing a suite of computer simulation models suitable for evaluating hydrodynamic, water quality and biological conditions of fine-tails bottom lakes that would be capped with a layer of fresh water. That modelling framework was further refined in 1992--93 by incorporating probabilistic capabilities, developing of secondary production and food-chain components, and implementing of a model to simulate contaminant concentrations in the Athabasca River. In 1993--94 the emphasis expanded from a focus solely on developing tools for evaluating wet landscape options to developing an integrated modelling framework capable of evaluating both wet and dry landscape reclamation options. Major components completed in 1993--94 included development of a dry landscape module that includes surface runoff, groundwater seepage, air vapor and bioaccumulation components, a wetlands module to assist in evaluating treatment potential and for optimizing design of wetlands units, and a risk analysis module for quantifying risks to human health and ecological receptors. The Reclamation Landscape Model is a compartment modelling system that consists of a number of stand-alone computer programs that can be run in conjunction with one another or separately. The computer programs that simulate contaminant-fate processes range from simple empirical models to complex, mechanistic, three-dimensional, dynamic models, which are capable of predicting contaminant concentrations in water, soil, air and biota for a wide range of reclamation landscape units. Most of the component models have probabilistic capabilities

Multi-object segmentation framework using deformable models for medical imaging analysis.

Science.gov (United States)

Namías, Rafael; D'Amato, Juan Pablo; Del Fresno, Mariana; Vénere, Marcelo; Pirró, Nicola; Bellemare, Marc-Emmanuel

2016-08-01

Segmenting structures of interest in medical images is an important step in different tasks such as visualization, quantitative analysis, simulation, and image-guided surgery, among several other clinical applications. Numerous segmentation methods have been developed in the past three decades for extraction of anatomical or functional structures on medical imaging. Deformable models, which include the active contour models or snakes, are among the most popular methods for image segmentation combining several desirable features such as inherent connectivity and smoothness. Even though different approaches have been proposed and significant work has been dedicated to the improvement of such algorithms, there are still challenging research directions as the simultaneous extraction of multiple objects and the integration of individual techniques. This paper presents a novel open-source framework called deformable model array (DMA) for the segmentation of multiple and complex structures of interest in different imaging modalities. While most active contour algorithms can extract one region at a time, DMA allows integrating several deformable models to deal with multiple segmentation scenarios. Moreover, it is possible to consider any existing explicit deformable model formulation and even to incorporate new active contour methods, allowing to select a suitable combination in different conditions. The framework also introduces a control module that coordinates the cooperative evolution of the snakes and is able to solve interaction issues toward the segmentation goal. Thus, DMA can implement complex object and multi-object segmentations in both 2D and 3D using the contextual information derived from the model interaction. These are important features for several medical image analysis tasks in which different but related objects need to be simultaneously extracted. Experimental results on both computed tomography and magnetic resonance imaging show that the proposed

Epitaxial deposition of silver ultrafine nano-clusters on defect-free surfaces of HOPG-derived few-layer graphene in a UHV multi-chamber by in-situ STM, ex-situ XPS and ab initio calculations

CSIR Research Space (South Africa)

Ndlovu, GF

2012-03-01

Full Text Available The growth of three-dimensional ultra-fine spherical nano-particles of silver on few layers of graphene derived from highly oriented pyrolytic graphite in ultra-high vacuum were characterized using in situ scanning tunneling microscopy (STM...

A methodological framework to support the initiation, design and institutionalization of participatory modeling processes in water resources management

Science.gov (United States)

Halbe, Johannes; Pahl-Wostl, Claudia; Adamowski, Jan

2018-01-01

Multiple barriers constrain the widespread application of participatory methods in water management, including the more technical focus of most water agencies, additional cost and time requirements for stakeholder involvement, as well as institutional structures that impede collaborative management. This paper presents a stepwise methodological framework that addresses the challenges of context-sensitive initiation, design and institutionalization of participatory modeling processes. The methodological framework consists of five successive stages: (1) problem framing and stakeholder analysis, (2) process design, (3) individual modeling, (4) group model building, and (5) institutionalized participatory modeling. The Management and Transition Framework is used for problem diagnosis (Stage One), context-sensitive process design (Stage Two) and analysis of requirements for the institutionalization of participatory water management (Stage Five). Conceptual modeling is used to initiate participatory modeling processes (Stage Three) and ensure a high compatibility with quantitative modeling approaches (Stage Four). This paper describes the proposed participatory model building (PMB) framework and provides a case study of its application in Québec, Canada. The results of the Québec study demonstrate the applicability of the PMB framework for initiating and designing participatory model building processes and analyzing barriers towards institutionalization.

Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

Science.gov (United States)

Hadjidoukas, P. E.; Angelikopoulos, P.; Papadimitriou, C.; Koumoutsakos, P.

2015-03-01

We present Π4U, an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

International Nuclear Information System (INIS)

Hadjidoukas, P.E.; Angelikopoulos, P.; Papadimitriou, C.; Koumoutsakos, P.

2015-01-01

We present Π4U, 1 an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow

Hydrogeologic Framework Model for the Saturated Zone Site Scale flow and Transport Model

Energy Technology Data Exchange (ETDEWEB)

T. Miller

2004-11-15

The purpose of this report is to document the 19-unit, hydrogeologic framework model (19-layer version, output of this report) (HFM-19) with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results in accordance with AP-SIII.10Q, Models. The HFM-19 is developed as a conceptual model of the geometric extent of the hydrogeologic units at Yucca Mountain and is intended specifically for use in the development of the ''Saturated Zone Site-Scale Flow Model'' (BSC 2004 [DIRS 170037]). Primary inputs to this model report include the GFM 3.1 (DTN: MO9901MWDGFM31.000 [DIRS 103769]), borehole lithologic logs, geologic maps, geologic cross sections, water level data, topographic information, and geophysical data as discussed in Section 4.1. Figure 1-1 shows the information flow among all of the saturated zone (SZ) reports and the relationship of this conceptual model in that flow. The HFM-19 is a three-dimensional (3-D) representation of the hydrogeologic units surrounding the location of the Yucca Mountain geologic repository for spent nuclear fuel and high-level radioactive waste. The HFM-19 represents the hydrogeologic setting for the Yucca Mountain area that covers about 1,350 km2 and includes a saturated thickness of about 2.75 km. The boundaries of the conceptual model were primarily chosen to be coincident with grid cells in the Death Valley regional groundwater flow model (DTN: GS960808312144.003 [DIRS 105121]) such that the base of the site-scale SZ flow model is consistent with the base of the regional model (2,750 meters below a smoothed version of the potentiometric surface), encompasses the exploratory boreholes, and provides a framework over the area of interest for groundwater flow and radionuclide transport modeling. In depth, the model domain extends from land surface to the base of the regional groundwater flow model (D'Agnese et al. 1997 [DIRS 100131], p 2). For the site

Hydrogeologic Framework Model for the Saturated Zone Site Scale flow and Transport Model

International Nuclear Information System (INIS)

Miller, T.

2004-01-01

The purpose of this report is to document the 19-unit, hydrogeologic framework model (19-layer version, output of this report) (HFM-19) with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results in accordance with AP-SIII.10Q, Models. The HFM-19 is developed as a conceptual model of the geometric extent of the hydrogeologic units at Yucca Mountain and is intended specifically for use in the development of the ''Saturated Zone Site-Scale Flow Model'' (BSC 2004 [DIRS 170037]). Primary inputs to this model report include the GFM 3.1 (DTN: MO9901MWDGFM31.000 [DIRS 103769]), borehole lithologic logs, geologic maps, geologic cross sections, water level data, topographic information, and geophysical data as discussed in Section 4.1. Figure 1-1 shows the information flow among all of the saturated zone (SZ) reports and the relationship of this conceptual model in that flow. The HFM-19 is a three-dimensional (3-D) representation of the hydrogeologic units surrounding the location of the Yucca Mountain geologic repository for spent nuclear fuel and high-level radioactive waste. The HFM-19 represents the hydrogeologic setting for the Yucca Mountain area that covers about 1,350 km2 and includes a saturated thickness of about 2.75 km. The boundaries of the conceptual model were primarily chosen to be coincident with grid cells in the Death Valley regional groundwater flow model (DTN: GS960808312144.003 [DIRS 105121]) such that the base of the site-scale SZ flow model is consistent with the base of the regional model (2,750 meters below a smoothed version of the potentiometric surface), encompasses the exploratory boreholes, and provides a framework over the area of interest for groundwater flow and radionuclide transport modeling. In depth, the model domain extends from land surface to the base of the regional groundwater flow model (D'Agnese et al. 1997 [DIRS 100131], p 2). For the site-scale SZ flow model, the HFM

On New Cautious Structural Reliability Models in the Framework of imprecise Probabilities

DEFF Research Database (Denmark)

Utkin, Lev V.; Kozine, Igor

2010-01-01

models and gen-eralizing conventional ones to imprecise probabili-ties. The theoretical setup employed for this purpose is imprecise statistical reasoning (Walley 1991), whose general framework is provided by upper and lower previsions (expectations). The appeal of this theory is its ability to capture......Uncertainty of parameters in engineering design has been modeled in different frameworks such as inter-val analysis, fuzzy set and possibility theories, ran-dom set theory and imprecise probability theory. The authors of this paper for many years have been de-veloping new imprecise reliability...... both aleatory (stochas-tic) and epistemic uncertainty and the flexibility with which information can be represented. The previous research of the authors related to generalizing structural reliability models to impre-cise statistical measures is summarized in Utkin & Kozine (2002) and Utkin (2004...

A cognitive psychometric model for the psychodiagnostic assessment of memory-related deficits.

Science.gov (United States)

Alexander, Gregory E; Satalich, Timothy A; Shankle, W Rodman; Batchelder, William H

2016-03-01

Clinical tests used for psychodiagnostic purposes, such as the well-known Alzheimer's Disease Assessment Scale: Cognitive subscale (ADAS-Cog), include a free-recall task. The free-recall task taps into latent cognitive processes associated with learning and memory components of human cognition, any of which might be impaired with the progression of Alzheimer's disease (AD). A Hidden Markov model of free recall is developed to measure latent cognitive processes used during the free-recall task. In return, these cognitive measurements give us insight into the degree to which normal cognitive functions are differentially impaired by medical conditions, such as AD and related disorders. The model is used to analyze the free-recall data obtained from healthy elderly participants, participants diagnosed as having mild cognitive impairment, and participants diagnosed with early AD. The model is specified hierarchically to handle item differences because of the serial position curve in free recall, as well as within-group individual differences in participants' recall abilities. Bayesian hierarchical inference is used to estimate the model. The model analysis suggests that the impaired patients have the following: (1) long-term memory encoding deficits, (2) short-term memory (STM) retrieval deficits for all but very short time intervals, (3) poorer transfer into long-term memory for items successfully retrieved from STM, and (4) poorer retention of items encoded into long-term memory after longer delays. Yet, impaired patients appear to have no deficit in immediate recall of encoded words in long-term memory or for very short time intervals in STM. (c) 2016 APA, all rights reserved).

A Framework for Uplink Intercell Interference Modeling with Channel-Based Scheduling

KAUST Repository

Tabassum, Hina

2012-12-29

This paper presents a novel framework for modeling the uplink intercell interference(ICI) in a multiuser cellular network. The proposed framework assists in quantifying the impact of various fading channel models and state-of-the-art scheduling schemes on the uplink ICI. Firstly, we derive a semianalytical expression for the distribution of the location of the scheduled user in a given cell considering a wide range of scheduling schemes. Based on this, we derive the distribution and moment generating function (MGF) of the uplink ICI considering a single interfering cell. Consequently, we determine the MGF of the cumulative ICI observed from all interfering cells and derive explicit MGF expressions for three typical fading models. Finally, we utilize the obtained expressions to evaluate important network performance metrics such as the outage probability, ergodic capacity, and average fairness numerically. Monte-Carlo simulation results are provided to demonstrate the efficacy of the derived analytical expressions.

Predictive modeling in e-mental health: A common language framework

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Dennis Becker

2018-06-01

Full Text Available Recent developments in mobile technology, sensor devices, and artificial intelligence have created new opportunities for mental health care research. Enabled by large datasets collected in e-mental health research and practice, clinical researchers and members of the data mining community increasingly join forces to build predictive models for health monitoring, treatment selection, and treatment personalization. This paper aims to bridge the historical and conceptual gaps between the distant research domains involved in this new collaborative research by providing a conceptual model of common research goals. We first provide a brief overview of the data mining field and methods used for predictive modeling. Next, we propose to characterize predictive modeling research in mental health care on three dimensions: 1 time, relative to treatment (i.e., from screening to post-treatment relapse monitoring, 2 types of available data (e.g., questionnaire data, ecological momentary assessments, smartphone sensor data, and 3 type of clinical decision (i.e., whether data are used for screening purposes, treatment selection or treatment personalization. Building on these three dimensions, we introduce a framework that identifies four model types that can be used to classify existing and future research and applications. To illustrate this, we use the framework to classify and discuss published predictive modeling mental health research. Finally, in the discussion, we reflect on the next steps that are required to drive forward this promising new interdisciplinary field.

An approximate framework for quantum transport calculation with model order reduction

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Chen, Quan, E-mail: quanchen@eee.hku.hk [Department of Electrical and Electronic Engineering, The University of Hong Kong (Hong Kong); Li, Jun [Department of Chemistry, The University of Hong Kong (Hong Kong); Yam, Chiyung [Beijing Computational Science Research Center (China); Zhang, Yu [Department of Chemistry, The University of Hong Kong (Hong Kong); Wong, Ngai [Department of Electrical and Electronic Engineering, The University of Hong Kong (Hong Kong); Chen, Guanhua [Department of Chemistry, The University of Hong Kong (Hong Kong)