Implementation of EAM and FS potentials in HOOMD-blue

NASA Astrophysics Data System (ADS)

Yang, Lin; Zhang, Feng; Travesset, Alex; Wang, Caizhuang; Ho, Kaiming

HOOMD-blue is a general-purpose software to perform classical molecular dynamics simulations entirely on GPUs. We provide full support for EAM and FS type potentials in HOOMD-blue, and report accuracy and efficiency benchmarks, including comparisons with the LAMMPS GPU package. Two problems were selected to test the accuracy: the determination of the glass transition temperature of Cu64.5Zr35.5 alloy using an FS potential and the calculation of pair distribution functions of Ni3Al using an EAM potential. In both cases, the results using HOOMD-blue are indistinguishable from those obtained by the GPU package in LAMMPS within statistical uncertainties. As tests for time efficiency, we benchmark time-steps per second using LAMMPS GPU and HOOMD-blue on one NVIDIA Tesla GPU. Compared to our typical LAMMPS simulations on one CPU cluster node which has 16 CPUs, LAMMPS GPU can be 3-3.5 times faster, and HOOMD-blue can be 4-5.5 times faster. We acknowledge the support from Laboratory Directed Research and Development (LDRD) of Ames Laboratory.

Nitric oxide synthase 2 is required for conversion of pro-fibrogenic inflammatory CD133(+) progenitors into F4/80(+) macrophages in experimental autoimmune myocarditis.

PubMed

Blyszczuk, Przemyslaw; Berthonneche, Corrine; Behnke, Silvia; Glönkler, Marcel; Moch, Holger; Pedrazzini, Thierry; Lüscher, Thomas F; Eriksson, Urs; Kania, Gabriela

2013-02-01

Experimental autoimmune myocarditis (EAM) model mirrors important mechanisms of inflammatory dilated cardiomyopathy (iDCM). In EAM, inflammatory CD133(+) progenitors are a major cellular source of cardiac myofibroblasts in the post-inflammatory myocardium. We hypothesized that exogenous delivery of macrophage-colony-stimulating factor (M-CSF) can stimulate macrophage lineage differentiation of inflammatory progenitors and, therefore, prevent their naturally occurring myofibroblast fate in EAM. EAM was induced in wild-type (BALB/c) and nitric oxide synthase 2-deficient (Nos2(-/-)) mice and CD133(+) progenitors were isolated from inflamed hearts. In vitro, M-CSF converted inflammatory CD133(+) progenitors into nitric oxide-producing F4/80(+) macrophages and prevented transforming growth factor-β-mediated myofibroblast differentiation. Importantly, only a subset of heart-infiltrating CD133(+) progenitors expresses macrophage-specific antigen F4/80 in EAM. These CD133(+)/F4/80(hi) cells show impaired myofibrogenic potential compared with CD133(+)/F4/80(-) cells. M-CSF treatment of wild-type mice with EAM at the peak of disease markedly increased CD133(+)/F4/80(hi) cells in the myocardium, and CD133(+) progenitors isolated from M-CSF-treated mice failed to differentiate into myofibroblasts. In contrast, M-CSF was not effective in converting CD133(+) progenitors from inflamed hearts of Nos2(-/-) mice into macrophages, and M-CSF treatment did not result in increased CD133(+)/F4/80(hi) cell population in hearts of Nos2(-/-) mice. Accordingly, M-CSF prevented post-inflammatory fibrosis and left ventricular dysfunction in wild-type but not in Nos2(-/-) mice. Active and NOS2-dependent induction of macrophage lineage differentiation abrogates the myofibrogenic potential of heart-infiltrating CD133(+) progenitors. Modulating the in vivo differentiation fate of specific progenitors might become a novel approach for the treatment of inflammatory heart diseases.

Prospective randomized comparison of rotational angiography with three-dimensional reconstruction and computed tomography merged with electro-anatomical mapping: a two center atrial fibrillation ablation study.

PubMed

Anand, Rishi; Gorev, Maxim V; Poghosyan, Hermine; Pothier, Lindsay; Matkins, John; Kotler, Gregory; Moroz, Sarah; Armstrong, James; Nemtsov, Sergei V; Orlov, Michael V

2016-08-01

To compare the efficacy and accuracy of rotational angiography with three-dimensional reconstruction (3DATG) image merged with electro-anatomical mapping (EAM) vs. CT-EAM. A prospective, randomized, parallel, two-center study conducted in 36 patients (25 men, age 65 ± 10 years) undergoing AF ablation (33 % paroxysmal, 67 % persistent) guided by 3DATG (group 1) vs. CT (group 2) image fusion with EAM. 3DATG was performed on the Philips Allura Xper FD 10 system. Procedural characteristics including time, radiation exposure, outcome, and navigation accuracy were compared between two groups. There was no significant difference between the groups in total procedure duration or time spent for various procedural steps. Minor differences in procedural characteristics were present between two centers. Segmentation and fusion time for 3DATG or CT-EAM was short and similar between both centers. Accuracy of navigation guided by either method was high and did not depend on left atrial size. Maintenance of sinus rhythm between the two groups was no different up to 24 months of follow-up. This study did not find superiority of 3DATG-EAM image merge to guide AF ablation when compared to CT-EAM fusion. Both merging techniques result in similar navigation accuracy.

Towards optical spectroscopic anatomical mapping (OSAM) for lesion validation in cardiac tissue (Conference Presentation)

NASA Astrophysics Data System (ADS)

Singh-Moon, Rajinder P.; Zaryab, Mohammad; Hendon, Christine P.

2017-02-01

Electroanatomical mapping (EAM) is an invaluable tool for guiding cardiac radiofrequency ablation (RFA) therapy. The principle roles of EAM is the identification of candidate ablation sites by detecting regions of abnormal electrogram activity and lesion validation subsequent to RF energy delivery. However, incomplete lesions may present interim electrical inactivity similar to effective treatment in the acute setting, despite efforts to reveal them with pacing or drugs, such as adenosine. Studies report that the misidentification and recovery of such lesions is a leading cause of arrhythmia recurrence and repeat procedures. In previous work, we demonstrated spectroscopic characterization of cardiac tissues using a fiber optic-integrated RF ablation catheter. In this work, we introduce OSAM (optical spectroscopic anatomical mapping), the application of this spectroscopic technique to obtain 2-dimensional biodistribution maps. We demonstrate its diagnostic potential as an auxiliary method for lesion validation in treated swine preparations. Endocardial lesion sets were created on fresh swine cardiac samples using a commercial RFA system. An optically-integrated catheter console fabricated in-house was used for measurement of tissue optical spectra between 600-1000nm. Three dimensional, Spatio-spectral datasets were generated by raster scanning of the optical catheter across the treated sample surface in the presence of whole blood. Tissue optical parameters were recovered at each spatial position using an inverse Monte Carlo method. OSAM biodistribution maps showed stark correspondence with gross examination of tetrazolium chloride stained tissue specimens. Specifically, we demonstrate the ability of OSAM to readily distinguish between shallow and deeper lesions, a limitation faced by current EAM techniques. These results showcase the OSAMs potential for lesion validation strategies for the treatment of cardiac arrhythmias.

Study on high-resolution representation of terraces in Shanxi Loess Plateau area

NASA Astrophysics Data System (ADS)

Zhao, Weidong; Tang, Guo'an; Ma, Lei

2008-10-01

A new elevation points sampling method, namely TIN-based Sampling Method (TSM) and a new visual method called Elevation Addition Method (EAM), are put forth for representing the typical terraces in Shanxi loess plateau area. The DEM Feature Points and Lines Classification (DEPLC) put forth by the authors in 2007 is perfected for depicting the main path in the study area. The EAM is used to visualize the terraces and the path in the study area. 406 key elevation points and 15 feature constrained lines sampled by this method are used to construct CD-TINs which can depict the terraces and path correctly and effectively. Our case study shows that the new sampling method called TSM is reasonable and feasible. The complicated micro-terrains like terraces and path can be represented with high resolution and high efficiency successfully by use of the perfected DEPLC, TSM and CD-TINs. And both the terraces and the main path are visualized very well by use of EAM even when the terrace height is not more than 1m.

Composition and temporal stability of turf sediments on inner-shelf coral reefs.

PubMed

Gordon, Sophie E; Goatley, Christopher H R; Bellwood, David R

2016-10-15

Elevated sediment loads within the epilithic algal matrix (EAM) of coral reefs can increase coral mortality and inhibit herbivory. Yet the composition, distribution and temporal variability of EAM sediment loads are poorly known, especially on inshore reefs. This study quantified EAM sediment loads (including organic particulates) and algal length across the reef profile of two bays at Orpheus Island (inner-shelf Great Barrier Reef) over a six month period. We examined the total sediment mass, organic load, carbonate and silicate content, and the particle sizes of EAM sediments. Throughout the study period, all EAM sediment variables exhibited marked variation among reef zones. However, EAM sediment loads and algal length were consistent between bays and over time, despite major seasonal variation in climate including a severe tropical cyclone. This study provides a comprehensive description of EAM sediments on inshore reefs and highlights the exceptional temporal stability of EAM sediments on coral reefs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Hydrogen-vacancy-dislocation interactions in α-Fe

NASA Astrophysics Data System (ADS)

Tehranchi, A.; Zhang, X.; Lu, G.; Curtin, W. A.

2017-02-01

Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Quantum-mechanics/molecular-mechanics method calculations confirm molecular statics simulations based on embedded atom method (EAM) potential showing that individual vacancies on the compressive side of an edge dislocation can be transported with the dislocation as it glides. Molecular dynamics simulations based on EAM potential then show, however, that vacancy clusters in the glide plane of an approaching dislocation are annihilated or reduced in size by the creation of a double-jog/climb process that is driven by the huge reduction in energy accompanying vacancy annihilation. The effectiveness of annihilation/reduction processes is not reduced by the presence of hydrogen in the vacancy clusters because typical V-H cluster binding energies are much lower than the vacancy formation energy, except at very high hydrogen content in the cluster. Analysis of a range of configurations indicates that hydrogen plays no special role in stabilizing nanovoids against jog formation processes that shrink voids. Experimental observations of nanovoids on the fracture surfaces of steels must be due to as-yet undetermined processes.

Complete Freund's adjuvant induces experimental autoimmune myocarditis by enhancing IL-6 production during initiation of the immune response.

PubMed

Fontes, Jillian A; Barin, Jobert G; Talor, Monica V; Stickel, Natalie; Schaub, Julie; Rose, Noel R; Čiháková, Daniela

2017-06-01

Complete Freund's Adjuvant (CFA) emulsified with an antigen is a widely used method to induce autoimmune disease in animal models, yet the contribution of CFA to the immune response is not well understood. We compared the effectiveness of CFA with Incomplete Freund's Adjuvant (IFA) or TiterMax Gold Adjuvant (TMax) in experimental autoimmune myocarditis (EAM) in male mice. EAM was induced in A/J, BALB/c, and IL6KO BALB/c male mice by injection of the myocarditogenic peptide in CFA, IFA, or TMax on days 0 and 7. EAM severity was analyzed by histology on day 21. In addition, specific flow cytometry outcomes were evaluated on day 21. Only mice immunized with CFA and myocarditogenic peptide on both days 0 and 7 developed substantial myocarditis as measured by histology. We observed a significantly increased level of IL6 in the spleen 3 days after CFA immunization. In the spleen and heart on day 21, there was an expansion of myeloid cells in CFA-immunized mice, as compared to IFA or TMax-immunized animals. Recombinant IL-6 at the time of IFA immunization partially restored susceptibility of the mice to EAM. We also treated EAM-resistant IL-6 knockout mice with recombinant IL-6 around the time of the first immunization, on days -1 to 2, completely restoring disease susceptibility, showing that the requirement for IL-6 coincides with primary immunization. Examining APC populations in the lymph node draining the immunization site evidenced the contribution of IL-6 to the CFA-dependence of EAM was through controlling local dendritic cell (DC) trafficking. CFA used with myocarditogenic peptide twice is required to induce EAM in both A/J and Balb/c mice. Although IFA and TiterMax induce antibody responses, only CFA preferentially induced autoantigen-specific responses. CFA expands monocytes in the heart and in the spleen. IL-6 signaling is required during short window around primary immunization to induce EAM. In addition, IL-6 deficient mice resistance to EAM could be reversed by injecting IL-6 around first immunization. IL-6 expands dendritic cell and monocytic populations and ultimately leads to a robust T-cell driven immune response in CFA immunized mice. © 2017 The Authors. Immunity, Inflammation and Disease Published by John Wiley & Sons Ltd.

Energetics and structural properties of twist grain boundaries in Cu

NASA Technical Reports Server (NTRS)

Karimi, Majid

1992-01-01

Structural and energetics properties of atoms near a grain boundary are of great importance from theoretical and experimental standpoints. From various experimental work it is concluded that diffusion at low temperatures at polycrystalline materials take place near grain boundary. Experimental and theoretical results also indicate changes of up to 70 percent in physical properties near a grain boundary. The Embedded Atom Method (EAM) calculations on structural properties of Au twist grain boundaries are in quite good agreement with their experimental counterparts. The EAM is believed to predict reliable values for the single vacancy formation energy as well as migration energy. However, it is not clear whether the EAM functions which are fitted to the bulk properties of a perfect crystalline solid can produce reliable results on grain boundaries. One of the objectives of this work is to construct the EAM functions for Cu and use them in conjunction with the molecular static simulation to study structures and energetics of atoms near twist grain boundaries in Cu. This provides tests of the EAM functions near a grain boundary. In particular, we determine structure, single vacancy formation energy, migration energy, single vacancy activation energy, and interlayer spacing as a function of distance from grain boundary. Our results are compared with the available experimental and theoretical results from grain boundaries and bulk.

Electrochemical and genomic analysis of novel electroactive isolates obtained via potentiostatic enrichment from tropical sediment

NASA Astrophysics Data System (ADS)

Doyle, Lucinda E.; Yung, Pui Yi; Mitra, Sumitra D.; Wuertz, Stefan; Williams, Rohan B. H.; Lauro, Federico M.; Marsili, Enrico

2017-07-01

Enrichment of electrochemically-active microorganisms (EAM) to date has mostly relied on microbial fuel cells fed with wastewater. This study aims to enrich novel EAM by exposing tropical sediment, not frequently reported in the literature, to sustained anodic potentials. Voltamperometric techniques and electrochemical impedance spectroscopy, performed over a wide range of potentials, characterise extracellular electron transfer (EET) over time. Applied potential is found to affect biofilm electrochemical signature. Geobacter metallireducens is heavily enriched on the electrodes, as determined by metagenomic and metatranscriptomic analysis, in the first report of the species in a lactate-fed system. Two novel isolates are grown in pure culture from the enrichment, identified by 16S rRNA gene sequencing as Aeromonas and Enterobacter, respectively. The names proposed are Aeromonas sp. CL-1 and Enterobacter sp. EA-1. Both isolates are capable of EET on carbon felt and screen-printed carbon electrodes without the addition of exogenous redox mediators. Enterobacter sp. EA-1 can also perform mediated electron transfer using the soluble redox mediator 2-hydroxy-1,4-naphthoquinone (HNQ). Both isolates are able to use acetate and lactate as electron donors. This work outlines a comprehensive methodology for characterising novel EAM from unconventional inocula.

Forest health monitoring in the Ngangao Forest, Taita Tills, Kenya: A five year assessment of change

Treesearch

Paul C. Rogers; Barbara O' Connell; James Mwang' ombe; Seif Madoffe; Gerard Hertel

2008-01-01

Forest Health Monitoring (FHM) provides a standardized detection-level survey of forest and tree characteristics for large forested areas. We have adopted FHM methods from this temperate-based program to tropical forests in the Eastern Arc Mountains (EAM) of Kenya and Tanzania. This paper reports the first assessment of trend data in the EAM over a period from 2001 to...

Simulation of defects in fusion plasma first wall materials

NASA Astrophysics Data System (ADS)

T, Troev; N, Nankov; T, Yoshiie

2014-06-01

Numerical calculations of radiation damages in beryllium, alpha-iron and tungsten irradiated by fusion neutrons were performed using molecular dynamics (MD) simulations. The displacement cascades efficiency has been calculated using the Norgett-Robinson-Torrens (NRT) formula, the universal pair-potential of Ziegler-Biersack-Littmark (ZBL) and the EAM inter-atomic potential. The pair potential overestimates the defects production by a factor of 2. The ZBL pair potential results and the EAM are comparable at higher primary knock-on atom (PKA) energies (E > 100 keV). We found that the most common types of defects are single vacancies, di-vacancies, interstitials and small number of interstitial clusters. On the bases of calculated results, the behavior of vacancies, empty nano-voids and nano-voids with hydrogen and helium were discussed.

Melting curves and entropy of fusion of body-centered cubic tungsten under pressure

NASA Astrophysics Data System (ADS)

Liu, Chun-Mei; Chen, Xiang-Rong; Xu, Chao; Cai, Ling-Cang; Jing, Fu-Qian

2012-07-01

The melting curves and entropy of fusion of body-centered cubic (bcc) tungsten (W) under pressure are investigated via molecular dynamics (MD) simulations with extended Finnis-Sinclair (EFS) potential. The zero pressure melting point obtained is better than other theoretical results by MD simulations with the embedded-atom-method (EAM), Finnis-Sinclair (FS) and modified EAM potentials, and by ab initio MD simulations. Our radial distribution function and running coordination number analyses indicate that apart from the expected increase in disorder, the main change on going from solid to liquid is thus a slight decrease in coordination number. Our entropy of fusion of W during melting, ΔS, at zero pressure, 7.619 J/mol.K, is in good agreement with the experimental and other theoretical data. We found that, with the increasing pressure, the entropy of fusion ΔS decreases fast first and then oscillates with pressure; when the pressure is higher than 100 GPa, the entropy of fusion ΔS is about 6.575 ± 0.086 J/mol.K, which shows less pressure effect.

Novel monolithic integration scheme for high-speed electroabsorption modulators and semiconductor optical amplifiers using cascaded structure.

PubMed

Lin, Fang-Zheng; Wu, Tsu-Hsiu; Chiu, Yi-Jen

2009-06-08

A new monolithic integration scheme, namely cascaded-integration (CI), for improving high-speed optical modulation is proposed and demonstrated. High-speed electroabsorption modulators (EAMs) and semiconductor optical amplifiers (SOAs) are taken as the integrated elements of CI. This structure is based on an optical waveguide defined by cascading segmented EAMs with segmented SOAs, while high-impedance transmission lines (HITLs) are used for periodically interconnecting EAMs, forming a distributive optical re-amplification and re-modulation. Therefore, not only the optical modulation can be beneficial from SOA gain, but also high electrical reflection due to EAM low characteristic impedance can be greatly reduced. Two integration schemes, CI and conventional single-section (SS), with same total EAM- and SOA- lengths are fabricated and compared to examine the concept. Same modulation-depth against with EAM bias (up to 5V) as well as SOA injection current (up to 60mA) is found in both structures. In comparison with SS, a < 1dB extra optical-propagation loss in CI is measured due to multi-sections of electrical-isolation regions between EAMs and SOAs, suggesting no significant deterioration in CI on DC optical modulation efficiency. Lower than -12dB of electrical reflection from D.C. to 30GHz is observed in CI, better than -5dB reflection in SS for frequency of above 5GHz. Superior high-speed electrical properties in CI structure can thus lead to higher speed of electrical-to-optical (EO) response, where -3dB bandwidths are >30GHz and 13GHz for CI and SS respectively. Simulation results on electrical and EO response are quite consistent with measurement, confirming that CI can lower the driving power at high-speed regime, while the optical loss is still kept the same level. Taking such distributive advantage (CI) with optical gain, not only higher-speed modulation with high output optical power can be attained, but also the trade-off issue due to impedance mismatch can be released to reduce the driving power of modulator. Such kind of monolithic integration scheme also has potential for the applications of other high-speed optoelectronics devices.

Social cognition in a case of amnesia with neurodevelopmental mechanisms.

PubMed

Staniloiu, Angelica; Borsutzky, Sabine; Woermann, Friedrich G; Markowitsch, Hans J

2013-01-01

Episodic-autobiographical memory (EAM) is considered to emerge gradually in concert with the development of other cognitive abilities (such as executive functions, personal semantic knowledge, emotional knowledge, theory of mind (ToM) functions, language, and working memory). On the brain level its emergence is accompanied by structural and functional reorganization of different components of the so-called EAM network. This network includes the hippocampal formation, which is viewed as being vital for the acquisition of memories of personal events for long-term storage. Developmental studies have emphasized socio-cultural-linguistic mechanisms that may be unique to the development of EAM. Furthermore it was hypothesized that one of the main functions of EAM is the social one. In the research field, the link between EAM and social cognition remains however debated. Herein we aim to bring new insights into the relation between EAM and social information processing (including social cognition) by describing a young adult patient with amnesia with neurodevelopmental mechanisms due to perinatal complications accompanied by hypoxia. The patient was investigated medically, psychiatrically, and with neuropsychological and neuroimaging methods. Structural high resolution magnetic resonance imaging revealed significant bilateral hippocampal atrophy as well as indices for degeneration in the amygdalae, basal ganglia, and thalamus, when a less conservative threshold was applied. In addition to extensive memory investigations and testing other (non-social) cognitive functions, we employed a broad range of tests that assessed social information processing (social perception, social cognition, social regulation). Our results point to both preserved (empathy, core ToM functions, visual affect selection, and discrimination, affective prosody discrimination) and impaired domains of social information processing (incongruent affective prosody processing, complex social judgments). They support proposals for a role of the hippocampal formation in processing more complex social information that likely requires multimodal relational handling.

Social cognition in a case of amnesia with neurodevelopmental mechanisms

PubMed Central

Staniloiu, Angelica; Borsutzky, Sabine; Woermann, Friedrich G.; Markowitsch, Hans J.

2013-01-01

Episodic–autobiographical memory (EAM) is considered to emerge gradually in concert with the development of other cognitive abilities (such as executive functions, personal semantic knowledge, emotional knowledge, theory of mind (ToM) functions, language, and working memory). On the brain level its emergence is accompanied by structural and functional reorganization of different components of the so-called EAM network. This network includes the hippocampal formation, which is viewed as being vital for the acquisition of memories of personal events for long-term storage. Developmental studies have emphasized socio-cultural-linguistic mechanisms that may be unique to the development of EAM. Furthermore it was hypothesized that one of the main functions of EAM is the social one. In the research field, the link between EAM and social cognition remains however debated. Herein we aim to bring new insights into the relation between EAM and social information processing (including social cognition) by describing a young adult patient with amnesia with neurodevelopmental mechanisms due to perinatal complications accompanied by hypoxia. The patient was investigated medically, psychiatrically, and with neuropsychological and neuroimaging methods. Structural high resolution magnetic resonance imaging revealed significant bilateral hippocampal atrophy as well as indices for degeneration in the amygdalae, basal ganglia, and thalamus, when a less conservative threshold was applied. In addition to extensive memory investigations and testing other (non-social) cognitive functions, we employed a broad range of tests that assessed social information processing (social perception, social cognition, social regulation). Our results point to both preserved (empathy, core ToM functions, visual affect selection, and discrimination, affective prosody discrimination) and impaired domains of social information processing (incongruent affective prosody processing, complex social judgments). They support proposals for a role of the hippocampal formation in processing more complex social information that likely requires multimodal relational handling. PMID:23805111

Characteristics, processes, and causes of the spatio-temporal variabilities of the East Asian monsoon system

NASA Astrophysics Data System (ADS)

Huang, Ronghui; Chen, Jilong; Wang, Lin; Lin, Zhongda

2012-09-01

Recent advances in the study of the characteristics, processes, and causes of spatio-temporal variabilities of the East Asian monsoon (EAM) system are reviewed in this paper. The understanding of the EAM system has improved in many aspects: the basic characteristics of horizontal and vertical structures, the annual cycle of the East Asian summer monsoon (EASM) system and the East Asian winter monsoon (EAWM) system, the characteristics of the spatio-temporal variabilities of the EASM system and the EAWM system, and especially the multiple modes of the EAM system and their spatio-temporal variabilities. Some new results have also been achieved in understanding the atmosphere-ocean interaction and atmosphere-land interaction processes that affect the variability of the EAM system. Based on recent studies, the EAM system can be seen as more than a circulation system, it can be viewed as an atmosphere-ocean-land coupled system, namely, the EAM climate system. In addition, further progress has been made in diagnosing the internal physical mechanisms of EAM climate system variability, especially regarding the characteristics and properties of the East Asia-Pacific (EAP) teleconnection over East Asia and the North Pacific, the "Silk Road" teleconnection along the westerly jet stream in the upper troposphere over the Asian continent, and the dynamical effects of quasi-stationary planetary wave activity on EAM system variability. At the end of the paper, some scientific problems regarding understanding the EAM system variability are proposed for further study.

Molecular dynamics simulations of the melting curve of NiAl alloy under pressure

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

Zhang, Wenjin; Peng, Yufeng; Liu, Zhongli, E-mail: zhongliliu@yeah.net

2014-05-15

The melting curve of B2-NiAl alloy under pressure has been investigated using molecular dynamics technique and the embedded atom method (EAM) potential. The melting temperatures were determined with two approaches, the one-phase and the two-phase methods. The first one simulates a homogeneous melting, while the second one involves a heterogeneous melting of materials. Both approaches reduce the superheating effectively and their results are close to each other at the applied pressures. By fitting the well-known Simon equation to our melting data, we yielded the melting curves for NiAl: 1783(1 + P/9.801){sup 0.298} (one-phase approach), 1850(1 + P/12.806){sup 0.357} (two-phase approach).more » The good agreement of the resulting equation of states and the zero-pressure melting point (calc., 1850 ± 25 K, exp., 1911 K) with experiment proved the correctness of these results. These melting data complemented the absence of experimental high-pressure melting of NiAl. To check the transferability of this EAM potential, we have also predicted the melting curves of pure nickel and pure aluminum. Results show the calculated melting point of Nickel agrees well with experiment at zero pressure, while the melting point of aluminum is slightly higher than experiment.« less

Thermal transport in UO 2 with defects and fission products by molecular dynamics simulations

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

Liu, Xiang-Yang; Cooper, Michael William Donald; Mcclellan, Kenneth James

2015-10-14

The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO 2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO 2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U 5+ and Zr 4+ in UO 2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then correctedmore » for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO 2+x samples.« less

Optical set-reset latch

DOEpatents

Skogen, Erik J.

2013-01-29

An optical set-reset (SR) latch is formed from a first electroabsorption modulator (EAM), a second EAM and a waveguide photodetector (PD) which are arranged in an optical and electrical feedback loop which controls the transmission of light through the first EAM to latch the first EAM in a light-transmissive state in response to a Set light input. A second waveguide PD controls the transmission of light through the second EAM and is used to switch the first EAM to a light-absorptive state in response to a Reset light input provided to the second waveguide PD. The optical SR latch, which may be formed on a III-V compound semiconductor substrate (e.g. an InP or a GaAs substrate) as a photonic integrated circuit (PIC), stores a bit of optical information and has an optical output for the logic state of that bit of information.

Coral transplantation triggers shift in microbiome and promotion of coral disease associated potential pathogens

PubMed Central

Casey, Jordan M.; Connolly, Sean R.; Ainsworth, Tracy D.

2015-01-01

By cultivating turf algae and aggressively defending their territories, territorial damselfishes in the genus Stegastes play a major role in shaping coral-algal dynamics on coral reefs. The epilithic algal matrix (EAM) inside Stegastes’ territories is known to harbor high abundances of potential coral disease pathogens. To determine the impact of territorial grazers on coral microbial assemblages, we established a coral transplant inside and outside of Stegastes’ territories. Over the course of one year, the percent mortality of transplanted corals was monitored and coral samples were collected for microbial analysis. As compared to outside damselfish territories, Stegastes were associated with a higher rate of mortality of transplanted corals. However, 16S rDNA sequencing revealed that territorial grazers do not differentially impact the microbial assemblage of corals exposed to the EAM. Regardless of Stegastes presence or absence, coral transplantation resulted in a shift in the coral-associated microbial community and an increase in coral disease associated potential pathogens. Further, transplanted corals that suffer low to high mortality undergo a microbial transition from a microbiome similar to that of healthy corals to that resembling the EAM. These findings demonstrate that coral transplantation significantly impacts coral microbial communities, and transplantation may increase susceptibility to coral disease. PMID:26144865

Structural and dynamical properties of liquid Al-Au alloys

NASA Astrophysics Data System (ADS)

Peng, H. L.; Voigtmann, Th.; Kolland, G.; Kobatake, H.; Brillo, J.

2015-11-01

We investigate temperature- and composition-dependent structural and dynamical properties of Al-Au melts. Experiments are performed to obtain accurate density and viscosity data. The system shows a strong negative excess volume, similar to other Al-based binary alloys. We develop a molecular-dynamics (MD) model of the melt based on the embedded-atom method (EAM), gauged against the available experimental liquid-state data. A rescaling of previous EAM potentials for solid-state Au and Al improves the quantitative agreement with experimental data in the melt. In the MD simulation, the admixture of Au to Al can be interpreted as causing a local compression of the less dense Al system, driven by less soft Au-Au interactions. This local compression provides a microscopic mechanism explaining the strong negative excess volume of the melt. We further discuss the concentration dependence of self- and interdiffusion and viscosity in the MD model. Al atoms are more mobile than Au, and their increased mobility is linked to a lower viscosity of the melt.

Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)

NASA Astrophysics Data System (ADS)

Gao, Yun; Takahashi, Minoru; Cavallotti, Carlo; Raos, Guido

2018-04-01

Corrosion of stainless steels by lead-bismuth eutectic (LBE) is an important problem which depends, amongst other things, on the diffusion of the steel components inside this liquid alloy. Here we present the results of classical molecular dynamics simulations of the diffusion of Fe and Ni within LBE. The simulations complement experimental studies of impurity diffusion by our group and provide an atomic-level understanding of the relevant diffusion phenomena. They are based on the embedded atom method (EAM) to represent many-body interactions among atoms. The EAM potentials employed in our simulations have been validated against ab initio density functional calculations. We show that the experimental and simulation results for the temperature-dependent viscosity of LBE and the impurity diffusion coefficients can be reconciled by assuming that the Ni and Fe diffuse mainly as nanoscopic clusters below 1300 K. The average Fe and Ni cluster sizes decrease with increasing the temperature and there is essentially single-atom diffusion at higher temperatures.

Embedded-atom-method study of structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys

NASA Astrophysics Data System (ADS)

Asta, Mark; Morgan, Dane; Hoyt, J. J.; Sadigh, Babak; Althoff, J. D.; de Fontaine, D.; Foiles, S. M.

1999-06-01

Structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys have been studied by Monte Carlo and molecular-dynamics simulations based upon three different embedded-atom method (EAM) interatomic potentials, namely those due to Foiles and Daw (FD) [J. Mater. Res. 2, 5 (1987)], Voter and Chen (VC) [in Characterization of Defects in Materials, edited by R. W. Siegel et al. MRS Symposia Proceedings. No. 82 (Materials Research Society, Pittsburgh, 1987), p.175] and Ludwig and Gumbsch (LG) [Model. Simul. Mater. Sci. Eng. 3, 533 (1995)]. We present detailed comparisons between calculated results and experimental data for structure factors, atomic volumes, enthalpies of mixing, activities, and viscosities. Calculated partial structure factors are found to be in semiquantitative agreement with published neutron scattering measurements for Ni20Al80 alloys, indicating that short-range order in the liquid phase is qualitatively well described. Calculated thermodynamic properties of mixing are found to agree very well with experimental data for Ni compositions greater than 75 atomic %, while for alloys richer in Al the magnitudes of the enthalpies and entropies of mixing are significantly underestimated. The VC and LG potentials give atomic densities and viscosities in good agreement with experiment for Ni-rich compositions, while FD potentials consistently underestimate both properties at all concentrations. The results of this study demonstrate that VC and LG potentials provide a realistic description of the thermodynamic and atomic transport properties for NixAl1-x liquid alloys with x>=0.75, and point to the limitations of EAM potentials for alloys richer in Al.

Cryptofauna of the epilithic algal matrix on an inshore coral reef, Great Barrier Reef

NASA Astrophysics Data System (ADS)

Kramer, M. J.; Bellwood, D. R.; Bellwood, O.

2012-12-01

Composed of a collection of algae, detritus, sediment and invertebrates, the epilithic algal matrix (EAM) is an abundant and ubiquitous feature of coral reefs. Despite its prevalence, there is a paucity of information regarding its associated invertebrate fauna. The cryptofaunal invertebrate community of the EAM was quantitatively investigated in Pioneer Bay on Orpheus Island, Great Barrier Reef. Using a vacuum collection method, a diversity of organisms representing 10 different phyla were identified. Crustacea dominated the samples, with harpacticoid copepods being particularly abundant (2025 ± 132 100 cm-2; mean density ± SE). The volume of coarse particulate matter in the EAM was strongly correlated with the abundance of harpacticoid copepods. The estimated biomass of harpacticoid copepods (0.48 ± 0.05 g m-2; wet weight) suggests that this group is likely to be important for reef trophodynamics and nutrient cycling.

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni 0.5Co 0.5, Ni 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2

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

Zhao, Shijun; Stocks, George Malcolm; Zhang, Yanwen

2016-08-03

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. In this study, using ab initio calculations based on density functional theory and special quasirandom structure, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni 0.5Co 0.5, Nimore » 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atomic size in the structure, which further determines the elemental diffusion properties. In conclusion, different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.« less

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2.

PubMed

Zhao, Shijun; Stocks, G Malcolm; Zhang, Yanwen

2016-09-14

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. Using ab initio calculations based on density functional theory and special quasirandom structures, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2, and Ni0.8Cr0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atoms in the structure, which further determines the elemental diffusion properties. Different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.

Modulation of the relationship between external knee adduction moments and medial joint contact forces across subjects and activities.

PubMed

Trepczynski, Adam; Kutzner, Ines; Bergmann, Georg; Taylor, William R; Heller, Markus O

2014-05-01

The external knee adduction moment (EAM) is often considered a surrogate measure of the distribution of loads across the tibiofemoral joint during walking. This study was undertaken to quantify the relationship between the EAM and directly measured medial tibiofemoral contact forces (Fmed ) in a sample of subjects across a spectrum of activities. The EAM for 9 patients who underwent total knee replacement was calculated using inverse dynamics analysis, while telemetric implants provided Fmed for multiple repetitions of 10 activities, including walking, stair negotiation, sit-to-stand activities, and squatting. The effects of the factors "subject" and "activity" on the relationships between Fmed and EAM were quantified using mixed-effects regression analyses in terms of the root mean square error (RMSE) and the slope of the regression. Across subjects and activities a good correlation between peak EAM and Fmed values was observed, with an overall R(2) value of 0.88. However, the slope of the linear regressions varied between subjects by up to a factor of 2. At peak EAM and Fmed , the RMSE of the regression across all subjects was 35% body weight (%BW), while the maximum error was 127 %BW. The relationship between EAM and Fmed is generally good but varies considerably across subjects and activities. These findings emphasize the limitation of relying solely on the EAM to infer medial joint loading when excessive directed cocontraction of muscles exists and call for further investigations into the soft tissue-related mechanisms that modulate the internal forces at the knee. Copyright © 2014 by the American College of Rheumatology.

78 FR 66353 - EAM Nelson Holdings, LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-05

... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. ER13-2349-000] EAM Nelson Holdings, LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes Request for Blanket Section 204 Authorization This is a supplemental notice in the above-referenced proceeding, of EAM Nelson...

Recent developments in electroabsorption modulators at Acreo Swedish ICT

NASA Astrophysics Data System (ADS)

Wang, Qin; Zhang, Andy Z.; Almqvist, Susanne; Junique, Stephane; Noharet, Bertrand; Platt, Duncan; Salter, Michael; Andersson, Jan Y.

2015-03-01

Three types of electroabsorption modulators (EAMs) based on III-V semiconductor multiple quantum wells (MQW) are presented in this work. One is a novel monolithic integration traveling-wave EAM for an analog optical transmitter/transceiver to achieve integrated photonic mm-wave functions for broadband connectivity. Another one is composed of an integrated EAM 1D array in a photonic beam-former as a Ku-band phased array antenna for seamless aeronautical networking through integration of data links, radios, and antennas. The third one addresses the use of MQW EAMs in free space optical links through biological tissue for transcutaneous communication.

High speed cross-amplitude modulation in concatenated SOA-EAM-SOA.

PubMed

Cleary, Ciaran S; Manning, Robert J

2012-06-18

We observe a near-ideal high speed amplitude impulse response in an SOA-EAM-SOA configuration under optimum conditions. Full amplitude recovery times as low as 10 ps with modulation depths of 70% were observed in pump-probe measurements. System behavior could be controlled by the choice of signal wavelength, SOA current biases and EAM reverse bias voltages. Experimental data and impulse response modelling indicated that the slow tail in the gain response of first SOA was negated by a combination of cross-absorption modulation between pump and modulated CW probe, and self-gain modulation of the modulated CW probe in both the EAM and second SOA.

Northward extent of East Asian monsoon covaries with intensity on orbital and millennial timescales.

PubMed

Goldsmith, Yonaton; Broecker, Wallace S; Xu, Hai; Polissar, Pratigya J; deMenocal, Peter B; Porat, Naomi; Lan, Jianghu; Cheng, Peng; Zhou, Weijian; An, Zhisheng

2017-02-21

The magnitude, rate, and extent of past and future East Asian monsoon (EAM) rainfall fluctuations remain unresolved. Here, late Pleistocene-Holocene EAM rainfall intensity is reconstructed using a well-dated northeastern China closed-basin lake area record located at the modern northwestern fringe of the EAM. The EAM intensity and northern extent alternated rapidly between wet and dry periods on time scales of centuries. Lake levels were 60 m higher than present during the early and middle Holocene, requiring a twofold increase in annual rainfall, which, based on modern rainfall distribution, requires a ∼400 km northward expansion/migration of the EAM. The lake record is highly correlated with both northern and southern Chinese cave deposit isotope records, supporting rainfall "intensity based" interpretations of these deposits as opposed to an alternative "water vapor sourcing" interpretation. These results indicate that EAM intensity and the northward extent covary on orbital and millennial timescales. The termination of wet conditions at 5.5 ka BP (∼35 m lake drop) triggered a large cultural collapse of Early Neolithic cultures in north China, and possibly promoted the emergence of complex societies of the Late Neolithic.

Northward extent of East Asian monsoon covaries with intensity on orbital and millennial timescales

PubMed Central

Goldsmith, Yonaton; Broecker, Wallace S.; Xu, Hai; Polissar, Pratigya J.; deMenocal, Peter B.; Porat, Naomi; Lan, Jianghu; Cheng, Peng; Zhou, Weijian; An, Zhisheng

2017-01-01

The magnitude, rate, and extent of past and future East Asian monsoon (EAM) rainfall fluctuations remain unresolved. Here, late Pleistocene–Holocene EAM rainfall intensity is reconstructed using a well-dated northeastern China closed-basin lake area record located at the modern northwestern fringe of the EAM. The EAM intensity and northern extent alternated rapidly between wet and dry periods on time scales of centuries. Lake levels were 60 m higher than present during the early and middle Holocene, requiring a twofold increase in annual rainfall, which, based on modern rainfall distribution, requires a ∼400 km northward expansion/migration of the EAM. The lake record is highly correlated with both northern and southern Chinese cave deposit isotope records, supporting rainfall “intensity based” interpretations of these deposits as opposed to an alternative “water vapor sourcing” interpretation. These results indicate that EAM intensity and the northward extent covary on orbital and millennial timescales. The termination of wet conditions at 5.5 ka BP (∼35 m lake drop) triggered a large cultural collapse of Early Neolithic cultures in north China, and possibly promoted the emergence of complex societies of the Late Neolithic. PMID:28167754

Northward extent of East Asian monsoon covaries with intensity on orbital and millennial timescales

NASA Astrophysics Data System (ADS)

Goldsmith, Yonaton; Broecker, Wallace S.; Xu, Hai; Polissar, Pratigya J.; deMenocal, Peter B.; Porat, Naomi; Lan, Jianghu; Cheng, Peng; Zhou, Weijian; An, Zhisheng

2017-02-01

The magnitude, rate, and extent of past and future East Asian monsoon (EAM) rainfall fluctuations remain unresolved. Here, late Pleistocene-Holocene EAM rainfall intensity is reconstructed using a well-dated northeastern China closed-basin lake area record located at the modern northwestern fringe of the EAM. The EAM intensity and northern extent alternated rapidly between wet and dry periods on time scales of centuries. Lake levels were 60 m higher than present during the early and middle Holocene, requiring a twofold increase in annual rainfall, which, based on modern rainfall distribution, requires a ˜400 km northward expansion/migration of the EAM. The lake record is highly correlated with both northern and southern Chinese cave deposit isotope records, supporting rainfall “intensity based” interpretations of these deposits as opposed to an alternative “water vapor sourcing” interpretation. These results indicate that EAM intensity and the northward extent covary on orbital and millennial timescales. The termination of wet conditions at 5.5 ka BP (˜35 m lake drop) triggered a large cultural collapse of Early Neolithic cultures in north China, and possibly promoted the emergence of complex societies of the Late Neolithic.

Nanoparticle-based biosensor for the detection of emerging pandemic influenza strains.

PubMed

Kamikawa, Tracy L; Mikolajczyk, Malgorzata G; Kennedy, Michael; Zhang, Pei; Wang, Wei; Scott, Dorothy E; Alocilja, Evangelyn C

2010-12-15

Electrically active magnetic (EAM) nanoparticles, consisting of aniline monomer polymerized around gamma iron(III) oxide (γ-Fe(2)O(3)) cores, serve as the basis of a direct-charge transfer biosensor developed for detection of surface glycoprotein hemagglutinin (HA) from the Influenza A virus (FLUAV) H5N1 (A/Vietnam/1203/04). H5N1 preferentially binds α2,3-linked host glycan receptors. EAM nanoparticles were immunofunctionalized with antibodies against target HA. Glycans preincubated with HA in 10% mouse serum were incubated with anti-HA-EAM complexes. The anti-HA-EAM complexes effectively acted as immunomagnetic separator of HA from mouse serum matrix. EAM nanoparticles served as the biosensor transducer for cyclic voltammetry measurements. The polyaniline was made electrically active by hydrochloric acid doping. Experimental results indicate that the biosensor is able to detect recombinant H5 HA at 1.4 μM in 10% mouse serum, with high specificity for H5 as compared to H1 (H1N1 A/South Carolina/1/18). This novel design applies EAM nanoparticles in a sensitive, specific, affordable, and easy-to-use biosensor with applications in disease monitoring and biosecurity. Copyright © 2010 Elsevier B.V. All rights reserved.

Advanced indium phosphide based monolithic integration using quantum well intermixing and MOCVD regrowth

NASA Astrophysics Data System (ADS)

Raring, James W.

The proliferation of the internet has fueled the explosive growth of telecommunications over the past three decades. As a result, the demand for communication systems providing increased bandwidth and flexibility at lower cost continues to rise. Lightwave communication systems meet these demands. The integration of multiple optoelectronic components onto a single chip could revolutionize the photonics industry. Photonic integrated circuits (PIC) provide the potential for cost reduction, decreased loss, decreased power consumption, and drastic space savings over conventional fiber optic communication systems comprised of discrete components. For optimal performance, each component within the PIC may require a unique epitaxial layer structure, band-gap energy, and/or waveguide architecture. Conventional integration methods facilitating such flexibility are increasingly complex and often result in decreased device yield, driving fabrication costs upward. It is this trade-off between performance and device yield that has hindered the scaling of photonic circuits. This dissertation presents high-functionality PICs operating at 10 and 40 Gb/s fabricated using novel integration technologies based on a robust quantum-well-intermixing (QWI) method and metal organic chemical vapor deposition (MOCVD) regrowth. We optimize the QWI process for the integration of high-performance quantum well electroabsorption modulators (QW-EAM) with sampled-grating (SG) DBR lasers to demonstrate the first widely-tunable negative chirp 10 and 40 Gb/s EAM based transmitters. Alone, QWI does not afford the integration of high-performance semiconductor optical amplifiers (SOA) and photodetectors with the transmitters. To overcome this limitation, we have developed a novel high-flexibility integration scheme combining MOCVD regrowth with QWI to merge low optical confinement factor SOAs and 40 Gb/s uni-traveling carrier (UTC) photodiodes on the same chip as the QW-EAM based transmitters. These high-saturation power receiver structures represent the state-of-the-art technologies for even discrete components. Using the novel integration technology, we present the first widely-tunable single-chip device capable of transmit and receive functionality at 40 Gb/s. This device monolithically integrates tunable lasers, EAMs, SOAs, and photodetectors with performance that rivals optimized discrete components. The high-flexibility integration scheme requires only simple blanket regrowth steps and thus breaks the performance versus yield trade-off plaguing conventional fabrication techniques employed for high-functionality PICs.

Treatment and prevention of experimental autoimmune myocarditis with CD28 superagonists.

PubMed

Wang, Shu; Liu, Jing; Wang, Min; Zhang, Jinghui; Wang, Zhaohui

2010-01-01

Experimental autoimmune myocarditis (EAM), a rodent model of human dilated cardiomyopathy (DCM), is mediated by an autoimmune mechanism. We investigated whether a CD28 superagonistic antibody selectively targeting CD4+CD25+ regulatory T cells (T(regs)) provides effective therapy for EAM. Four groups of 5 rats were used. The normal control group was immunized with PBS. The EAM group was immunized with porcine myosin. The experimental group was immunized with myosin and superagonistic CD28 antibody JJ316. The final group was immunized with myosin and an unrelated rat IgG. Autoantibody and IL-10 production, CD4+CD25+ cell levels, Foxp3 expression and cardiac histology were analyzed. Anti-myosin autoantibody levels were higher in the EAM and isotype control groups than the normal control group (p < 0.05), and reduced in the CD28-JJ316 group (p < 0.05). The levels of CD25+CD4+ cells, IL-10 and splenocyte Foxp3 expression were significantly lower in the EAM and isotype control groups versus the CD28-JJ316 group (p < 0.05). Infiltration of inflammatory cells was observed in the EAM and isotype control groups, whereas CD28-JJ316 ameliorated myocarditis. CD28 superagonists could be effective in EAM treatment by up-regulating Foxp3 expression and contributing to CD4+CD25+ T(reg) activation and expansion. The enhancement in IL-10 by CD28 superagonists also ameliorated the disease.

Metagenomic insights into the ecology and physiology of microbes in bioelectrochemical systems.

PubMed

Kouzuma, Atsushi; Ishii, Shun'ichi; Watanabe, Kazuya

2018-05-01

In bioelectrochemical systems (BESs), electrons are transferred between electrochemically active microbes (EAMs) and conductive materials, such as electrodes, via extracellular electron transfer (EET) pathways, and electrons thus transferred stimulate intracellular catabolic reactions. Catabolic and EET pathways have extensively been studied for several model EAMs, such as Shewanella oneidensis MR-1 and Geobacter sulfurreducens PCA, whereas it is also important to understand the ecophysiology of EAMs in naturally occurring microbiomes, such as those in anode biofilms in microbial fuel cells treating wastewater. Recent studies have exploited metagenomics and metatranscriptomics (meta-omics) approaches to characterize EAMs in BES-associated microbiomes. Here we review recent BES studies that used meta-omics approaches and show that these studies have discovered unexpected features of EAMs and deepened our understanding of functions and behaviors of microbes in BESs. It is desired that more studies will employ meta-omics approaches for advancing our knowledge on microbes in BESs. Copyright © 2018 Elsevier Ltd. All rights reserved.

Arrhythmia Mechanism and Scaling Effect on the Spectral Properties of Electroanatomical Maps With Manifold Harmonics.

PubMed

Sanroman-Junquera, Margarita; Mora-Jimenez, Inmaculada; Garcia-Alberola, Arcadio; Caamano, Antonio J; Trenor, Beatriz; Rojo-Alvarez, Jose L

2018-04-01

Spatial and temporal processing of intracardiac electrograms provides relevant information to support the arrhythmia ablation during electrophysiological studies. Current cardiac navigation systems (CNS) and electrocardiographic imaging (ECGI) build detailed 3-D electroanatomical maps (EAM), which represent the spatial anatomical distribution of bioelectrical features, such as activation time or voltage. We present a principled methodology for spectral analysis of both EAM geometry and bioelectrical feature in CNS or ECGI, including their spectral representation, cutoff frequency, or spatial sampling rate (SSR). Existing manifold harmonic techniques for spectral mesh analysis are adapted to account for a fourth dimension, corresponding to the EAM bioelectrical feature. Appropriate scaling is required to address different magnitudes and units. With our approach, simulated and real EAM showed strong SSR dependence on both the arrhythmia mechanism and the cardiac anatomical shape. For instance, high frequencies increased significantly the SSR because of the "early-meets-late" in flutter EAM, compared with the sinus rhythm. Besides, higher frequency components were obtained for the left atrium (more complex anatomy) than for the right atrium in sinus rhythm. The proposed manifold harmonics methodology opens the field toward new signal processing tools for principled EAM spatiofeature analysis in CNS and ECGI, and to an improved knowledge on arrhythmia mechanisms.

Holocene East Asian Monsoon Variability: Links to Solar and Tropical Pacific Forcing

NASA Astrophysics Data System (ADS)

Kandasamy, S.; Chen, C. A.; Lou, J.

2006-12-01

Sedimentary geochemical records from subalpine Retreat Lake, subtropical Taiwan, document the unstable East Asian Monsoon (EAM) climate for the last ~10250 calendar years before the present (cal yr B.P.). The proxy records demonstrate cool, glacial conditions with weak EAM between ~10250 and 8640 cal yr B.P., the strongest EAM during the "Holocene optimum" (8640-4500 cal yr B.P.) with an abrupt, decadal onset of postglacial EAM (8640-8600 cal yr B.P.), and relatively dry conditions since 4500 cal yr B.P. Although after 8600 cal yr B.P., EAM strength reduces gradually in response to the Northern Hemisphere summer insolation, heat and moisture transport and the development of late Holocene El-Niño-Southern Oscillation in the tropical Pacific appear to corroborate the periods of abrupt monsoon changes. Our proxy records reveal several weak monsoon intervals that correlate to low sea surface temperatures in the western tropical Pacific and cold events in the North Atlantic, suggesting a mechanistic link. Among those, four weak EAM events at 8170, 5400, 4500-2100 and 2000-1600 cal yr B.P. are in phase with the timings of low concentrations of atmospheric methane and periods of reduced North Atlantic Deep Water production as well as the `8.2 ka cold spell' and widespread event of low-latitude cultural collapse. Our EAM records exhibit strong correlations with high- and low-latitude climate and monsoon records; thus, provide robust evidences that the centennial-millennial scale monsoon variability during the Holocene are globally-mediated via sun- ocean-monsoon-North Atlantic linkages.

Objective characterization of airway dimensions using image processing.

PubMed

Pepper, Victoria K; Francom, Christian; Best, Cameron A; Onwuka, Ekene; King, Nakesha; Heuer, Eric; Mahler, Nathan; Grischkan, Jonathan; Breuer, Christopher K; Chiang, Tendy

2016-12-01

With the evolution of medical and surgical management for pediatric airway disorders, the development of easily translated techniques of measuring airway dimensions can improve the quantification of outcomes of these interventions. We have developed a technique that improves the ability to characterize endoscopic airway dimensions using common bronchoscopic equipment and an open-source image-processing platform. We validated our technique of Endoscopic Airway Measurement (EAM) using optical instruments in simulation tracheas. We then evaluated EAM in a large animal model (Ovis aries, n = 5), comparing tracheal dimensions obtained with EAM to measurements obtained via 3-D fluoroscopic reconstruction. The animal then underwent resection of the measured segment, and direct measurement of this segment was performed and compared to radiographic measurements and those obtained using EAM. The simulation tracheas had a direct measurement of 13.6, 18.5, and 24.2 mm in diameter. The mean difference of diameter in simulation tracheas between direct measurements and measurements obtained using EAM was 0.70 ± 0.57 mm. The excised ovine tracheas had an average diameter of 18.54 ± 0.68 mm. The percent difference in diameter obtained from EAM and from 3-D fluoroscopic reconstruction when compared to measurement of the excised tracheal segment was 4.98 ± 2.43% and 10.74 ± 4.07% respectively. Comparison of these three measurements (EAM, measurement of resected trachea, 3-D fluoroscopic reconstruction) with repeated measures ANOVA demonstrated no statistical significance. Endoscopic airway measurement (EAM) provides equivalent measurements of the airway with the improved versatility of measuring non-circular and multi-level dimensions. Using optical bronchoscopic instruments and open-source image-processing software, our data supports preclinical and clinical translation of an accessible technique to provide objective quantification of airway diameter. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

The oscillating fringe and paleo-intensity of the East Asian monsoon reconstructed using closed-basin lake-area and dDwax

NASA Astrophysics Data System (ADS)

Goldsmith, Y.; Broecker, W. S.; Polissar, P. J.; Xu, H.; Lan, J.; Zhou, W.; An, Z.; deMenocal, P. B.

2016-12-01

The magnitude, rate and extent of East Asian Monsoon (EAM) rainfall changes during the late Pleistocene-Holocene is reconstructed using the first well-dated northeastern China lake-area record from a closed-lake basin, which enables reconstructing quantitative absolute paleo-rainfall amounts. In addition, compound specific hydrogen isotopes (dDwax) from lake-sediments are used to reconstruct the isotopic composition of rainwater (dP). Lake-levels were 60m higher than present during the early and middle Holocene. Requiring an absolute increase in mean annual rainfall to at least two times higher than today and a 400 km northward expansion. The EAM intensity and northern extent alternated abruptly between wet and dry periods on time scales of a few centuries. Both the onset ( 60 m rise at 11.5 ka BP) and termination ( 35 m drop at 5.5 ka BP) of the Holocene humid period occurred abruptly, within centuries. dDwax is negatively correlated with the lake area record (R2=0.77), showing for the first time, the co-evolution of dP and local rainfall amount. Lake level is also highly correlated with Both North and South Chinese stalagmite records. These results indicate that local distillation is a significant control on dP in East China, and that local rainfall amount is correlated with the intensity of the large EAM system. These results resolve a current debate regarding the use of dP as a proxy for rainfall amount and validate the "intensity-based" interpretations of the Chinese cave deposit records. The lake is located at the modern NW boundary of the EAM, therefore, lake level is governed by the northward extent of the EAM. The covariation of lake level and the intensity of the monsoon indicate that intensity and northward expansion of the EAM are linked and that during intense (weak) EAM periods the EAM northwestern boundary shifts northward (southward).

Modeling material interfaces with hybrid adhesion method

DOE PAGES

Brown, Nicholas Taylor; Qu, Jianmin; Martinez, Enrique

2017-01-27

A molecular dynamics simulation approach is presented to approximate layered material structures using discrete interatomic potentials through classical mechanics and the underlying principles of quantum mechanics. This method isolates the energetic contributions of the system into two pure material layers and an interfacial region used to simulate the adhesive properties of the diffused interface. The strength relationship of the adhesion contribution is calculated through small-scale separation calculations and applied to the molecular surfaces through an inter-layer bond criterion. By segregating the contributions into three regions and accounting for the interfacial excess energies through the adhesive surface bonds, it is possiblemore » to model each material with an independent potential while maintaining an acceptable level of accuracy in the calculation of mechanical properties. This method is intended for the atomistic study of the delamination mechanics, typically observed in thin-film applications. Therefore, the work presented in this paper focuses on mechanical tensile behaviors, with observations in the elastic modulus and the delamination failure mode. To introduce the hybrid adhesion method, we apply the approach to an ideal bulk copper sample, where an interface is created by disassociating the force potential in the middle of the structure. Various mechanical behaviors are compared to a standard EAM control model to demonstrate the adequacy of this approach in a simple setting. In addition, we demonstrate the robustness of this approach by applying it on (1) a Cu-Cu 2O interface with interactions between two atom types, and (2) an Al-Cu interface with two dissimilar FCC lattices. These additional examples are verified against EAM and COMB control models to demonstrate the accurate simulation of failure through delamination, and the formation and propagation of dislocations under loads. Finally, the results conclude that by modeling the energy contributions of an interface using hybrid adhesion bonds, we can provide an accurate approximation method for studies of large-scale mechanical properties, as well as the representation of various delamination phenomena at the atomic scale.« less

Atomistic simulations of deformation mechanisms in ultralight weight Mg-Li alloys

NASA Astrophysics Data System (ADS)

Karewar, Shivraj

Mg alloys have spurred a renewed academic and industrial interest because of their ultra-light-weight and high specific strength properties. Hexagonal close packed Mg has low deformability and a high plastic anisotropy between basal and non-basal slip systems at room temperature. Alloying with Li and other elements is believed to counter this deficiency by activating non-basal slip by reducing their nucleation stress. In this work I study how Li addition affects deformation mechanisms in Mg using atomistic simulations. In the first part, I create a reliable and transferable concentration dependent embedded atom method (CD-EAM) potential for my molecular dynamics study of deformation. This potential describes the Mg-Li phase diagram, which accurately describes the phase stability as a function of Li concentration and temperature. Also, it reproduces the heat of mixing, lattice parameters, and bulk moduli of the alloy as a function of Li concentration. Most importantly, our CD-EAM potential reproduces the variation of stacking fault energy for basal, prismatic, and pyramidal slip systems that in uences the deformation mechanisms as a function of Li concentration. This success of CD-EAM Mg-Li potential in reproducing different properties, as compared to literature data, shows its reliability and transferability. Next, I use this newly created potential to study the effect of Li addition on deformation mechanisms in Mg-Li nanocrystalline (NC) alloys. Mg-Li NC alloys show basal slip, pyramidal type-I slip, tension twinning, and two-compression twinning deformation modes. Li addition reduces the plastic anisotropy between basal and non-basal slip systems by modifying the energetics of Mg-Li alloys. This causes the solid solution softening. The inverse relationship between strength and ductility therefore suggests a concomitant increase in alloy ductility. A comparison of the NC results with single crystal deformation results helps to understand the qualitative and quantitative effect of Li addition in Mg on nucleation stress and fault energies of each deformation mode. The nucleation stress and fault energies of basal dislocations and compression twins in single crystal Mg-Li alloy increase while those for pyramidal dislocations and tension twinning decrease. This variation in respective values explains the reduction in plastic anisotropy and increase in ductility for Mg-Li alloys.

Interocular Difference of Peripheral Refraction in Anisomyopic Eyes of Schoolchildren

PubMed Central

Chen, Junhong; He, Ji C.; Chen, Yunyun; Xu, Jingjing; Wu, Haoran; Wang, Feifu; Lu, Fan; Jiang, Jun

2016-01-01

Purpose Refraction in the peripheral visual field is believed to play an important role in the development of myopia. The purpose of this study was to investigate the differences in peripheral refraction among anisomyopia, isomyopia, and isoemmetropia for schoolchildren. Methods Thirty-eight anisomyopic children were recruited and divided into two groups: (1) both eyes were myopic (anisomyopic group, AM group) and (2) one eye was myopic and the contralateral eye was emmetropic (emmetropic anisomyopic group, EAM group). As controls, 45 isomyopic and isoemmetropic children were also recruited with age and central spherical equivalent (SE) matched to those of the AM and EAM groups. The controls were divided into three groups: (1) intermediate myopia group (SE matched to the more myopic eye of AM group), (2) low myopia group (SE matched to the less myopic eye of AM group and the more myopic eye of EAM group), and (3) emmetropia group (SE matched to the less myopic eye of EAM group). Peripheral refraction at 7 points across the central ±30° on the horizontal visual field with a 10° interval was measured with an autorefractor. Axial length (AL), corneal curvature (CC), and anterior chamber depth (ACD) were also determined by using the Zeiss IOL-Master. Results The relative peripheral spherical equivalent [RPR(M)] and relative peripheral spherical value [RPR(S)] of the more myopic eye was shifted more hyperopically than the contralateral eye in both the AM and the EAM groups (both p<0.0001). The RPR(M, S) of the less myopic eyes in the AM and EAM groups showed a relatively flat trend across the visual field and were not significantly different from the emmetropia group. The RPR(M, S) of less myopic eyes in the AM group were shifted less hyperopically than in the isomyopic low myopia group and the more myopic eye of the EAM group [RPR(M), p = 0.007; RPR(S), p = 0.001], although the central SEs of the three groups were not significantly different from each other. However, RPR(M, S) of the more myopic eyes were not different from the corresponding isomyopic groups. There was also no significant difference in the relative peripheral astigmatism [RPR(J0, J45)] between the more and the less myopic eyes in either the AM or the EAM group. Conclusion Refraction of anisomyopia differs between the two eyes not only at the central visual field but also at the off-axis periphery. The relative peripheral refraction of the more myopic eye of anisomyopia was shifted hyperopically, as occurs in isomyopia with similar central subjective SE values. Less myopic eyes were much less hyperopically shifted in relative peripheral refraction than the corresponding isomyopic eyes, but are comparable to emmetropic eyes. This emmetropia-like relative peripheral refraction in less myopic eyes might be a factor responsible for slowing down the progression of myopia. PMID:26881745

Effect of vacancy defects on generalized stacking fault energy of fcc metals.

PubMed

Asadi, Ebrahim; Zaeem, Mohsen Asle; Moitra, Amitava; Tschopp, Mark A

2014-03-19

Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate the influence of vacancy defects on generalized stacking fault (GSF) energy of fcc metals. MEAM and EAM potentials were used for MD simulations, and DFT calculations were performed to test the accuracy of different common parameter sets for MEAM and EAM potentials in predicting GSF with different fractions of vacancy defects. Vacancy defects were placed at the stacking fault plane or at nearby atomic layers. The effect of vacancy defects at the stacking fault plane and the plane directly underneath of it was dominant compared to the effect of vacancies at other adjacent planes. The effects of vacancy fraction, the distance between vacancies, and lateral relaxation of atoms on the GSF curves with vacancy defects were investigated. A very similar variation of normalized SFEs with respect to vacancy fractions were observed for Ni and Cu. MEAM potentials qualitatively captured the effect of vacancies on GSF.

Patterns of hippocampal-neocortical interactions in the retrieval of episodic autobiographical memories across the entire life-span of aged adults

PubMed Central

Viard, Armelle; Lebreton, Karine; Chételat, Gaël; Desgranges, Béatrice; Landeau, Brigitte; Young, Alan; De La Sayette, Vincent; Eustache, Francis; Piolino, Pascale

2010-01-01

We previously demonstrated that Episodic Autobiographical Memories (EAMs) rely on a network of brain regions comprising the medial temporal lobe (MTL) and distributed neocortical regions regardless of their remoteness. The findings supported the model of memory consolidation which proposes a permanent role of MTL during EAM retrieval (Multiple-Trace Theory or MTT) rather than a temporary role (standard model). Our present aim was to expand the results by examining the interactions between the MTL and neocortical regions (or MTL-neocortical links) during EAM retrieval with varying retention intervals. We used an experimental paradigm specially designed to engage aged participants in the recollection of EAMs, extracted from five different time-periods, covering their whole life-span, in order to examine correlations between activation in the MTL and neocortical regions. The nature of the memories was checked at debriefing by means of behavioral measures to control the degree of episodicity and properties of memories. Targeted correlational analyses carried out on the MTL, frontal, lateral temporal and posterior regions revealed strong links between the MTL and neocortex during the retrieval of both recent and remote EAMs, challenging the standard model of memory consolidation and supporting MTT instead. Further confirmation was given by results showing that activation in the left and right hippocampi significantly correlated during the retrieval of both recent and remote memories. Correlations among extra-MTL neocortical regions also emerged for all time-periods, confirming the critical role of the prefrontal, temporal (lateral temporal cortex and temporal pole), precuneus and posterior cingulate regions in EAM retrieval. Overall, this paper emphasizes the role of a bilateral network of MTL and neocortical areas whose activation correlate during the recollection of rich phenomenological recent and remote EAMs. PMID:19338022

The Embedded Atom Model and large-scale MD simulation of tin under shock loading

NASA Astrophysics Data System (ADS)

Sapozhnikov, F. A.; Ionov, G. V.; Dremov, V. V.; Soulard, L.; Durand, O.

2014-05-01

The goal of the work was to develop an interatomic potential, that can be used in large-scale classical MD simulations to predict tin properties near the melting curve, the melting curve itself, and the kinetics of melting and solidification when shock and ramp loading. According to phase diagram, shocked tin melts from bcc phase, and since the main objective was to investigate melting, the EAM was parameterized for bcc phase. The EAM was optimized using isothermal compression data (experimental at T=300 K and ab-initio at T=0 K for bcc, fcc, bct structures), experimental and QMD data on the Hugoniot and on the melting at elevated pressures. The Hugoniostat calculations centred at β-tin at ambient conditions showed that the calculated Hugoniot is in good agreement with experimental and QMD data above p-bct transition pressure. Calculations of overcooled liquid in pressure range corresponding to bcc phase showed crystallization into bcc phase. Since the principal Hugoniot of tin originates from the β-tin that is not described by this EAM the special initial state of bcc samples was constructed to perform large-scale MD simulations of shock loading.

Alteration in Memory and Electroencephalogram Waves with Sub-acute Noise Stress in Albino Rats and Safeguarded by Scoparia dulcis

PubMed Central

Loganathan, Sundareswaran; Rathinasamy, Sheeladevi

2016-01-01

Background: Noise stress has different effects on memory and novelty and the link between them with an electroencephalogram (EEG) has not yet been reported. Objective: To find the effect of sub-acute noise stress on the memory and novelty along with EEG and neurotransmitter changes. Materials and Methods: Eight-arm maze (EAM) and Y-maze to analyze the memory and novelty by novel object test. Four groups of rats were used: Control, control treated with Scoparia dulcis extract, noise exposed, and noise exposed which received Scoparia extract. Results: The results showed no marked difference observed between control and control treated with Scoparia extract on EAM, Y-maze, novel object test, and EEG in both prefrontal and occipital region, however, noise stress exposed rats showed significant increase in the reference memory and working memory error in EAM and latency delay, triad errors in Y-maze, and prefrontal and occipital EEG frequency rate with the corresponding increase in plasma corticosterone and epinephrine, and significant reduction in the novelty test, and significant reduction in the novelty test, amplitude of prefrontal, occipital EEG, and acetylcholine. Conclusion: These noise stress induced changes in EAM, Y-maze, novel object test, and neurotransmitters were significantly prevented when treated with Scoparia extract and these changes may be due to the normalizing action of Scoparia extract on the brain, which altered due to noise stress. SUMMARY Noise stress exposure causes EEG, behavior, and neurotransmitter alteration in the frontoparietal and occipital regions mainly involved in planning and recognition memoryOnly the noise stress exposed animals showed the significant alteration in the EEG, behavior, and neurotransmittersHowever, these noise stress induced changes in EEG behavior and neurotransmitters were significantly prevented when treated with Scoparia extractThese changes may be due to the normalizing action of Scoparia dulcis (adoptogen) on the brain which altered by noise stress. Abbreviations used: EEG: Electroencephalogram, dB: Decibel, EPI: Epinephrine, ACH: Acetylcholine, EAM: Eight-arm maze PMID:27041862

Functional specialization in nucleotide sugar transporters occurred through differentiation of the gene cluster EamA (DUF6) before the radiation of Viridiplantae

PubMed Central

2011-01-01

Background The drug/metabolite transporter superfamily comprises a diversity of protein domain families with multiple functions including transport of nucleotide sugars. Drug/metabolite transporter domains are contained in both solute carrier families 30, 35 and 39 proteins as well as in acyl-malonyl condensing enzyme proteins. In this paper, we present an evolutionary analysis of nucleotide sugar transporters in relation to the entire superfamily of drug/metabolite transporters that considers crucial intra-protein duplication events that have shaped the transporters. We use a method that combines the strengths of hidden Markov models and maximum likelihood to find relationships between drug/metabolite transporter families, and branches within families. Results We present evidence that the triose-phosphate transporters, domain unknown function 914, uracil-diphosphate glucose-N-acetylglucosamine, and nucleotide sugar transporter families have evolved from a domain duplication event before the radiation of Viridiplantae in the EamA family (previously called domain unknown function 6). We identify previously unknown branches in the solute carrier 30, 35 and 39 protein families that emerged simultaneously as key physiological developments after the radiation of Viridiplantae, including the "35C/E" branch of EamA, which formed in the lineage of T. adhaerens (Animalia). We identify a second cluster of DMTs, called the domain unknown function 1632 cluster, which has non-cytosolic N- and C-termini, and thus appears to have been formed from a different domain duplication event. We identify a previously uncharacterized motif, G-X(6)-G, which is overrepresented in the fifth transmembrane helix of C-terminal domains. We present evidence that the family called fatty acid elongases are homologous to transporters, not enzymes as had previously been thought. Conclusions The nucleotide sugar transporters families were formed through differentiation of the gene cluster EamA (domain unknown function 6) before Viridiplantae, showing for the first time the significance of EamA. PMID:21569384

Integration of electro-anatomical and imaging data of the left ventricle: An evaluation framework.

PubMed

Soto-Iglesias, David; Butakoff, Constantine; Andreu, David; Fernández-Armenta, Juan; Berruezo, Antonio; Camara, Oscar

2016-08-01

Integration of electrical and structural information for scar characterization in the left ventricle (LV) is a crucial step to better guide radio-frequency ablation therapies, which are usually performed in complex ventricular tachycardia (VT) cases. This integration requires finding a common representation where to map the electrical information from the electro-anatomical map (EAM) surfaces and tissue viability information from delay-enhancement magnetic resonance images (DE-MRI). However, the development of a consistent integration method is still an open problem due to the lack of a proper evaluation framework to assess its accuracy. In this paper we present both: (i) an evaluation framework to assess the accuracy of EAM and imaging integration strategies with simulated EAM data and a set of global and local measures; and (ii) a new integration methodology based on a planar disk representation where the LV surface meshes are quasi-conformally mapped (QCM) by flattening, allowing for simultaneous visualization and joint analysis of the multi-modal data. The developed evaluation framework was applied to estimate the accuracy of the QCM-based integration strategy on a benchmark dataset of 128 synthetically generated ground-truth cases presenting different scar configurations and EAM characteristics. The obtained results demonstrate a significant reduction in global overlap errors (50-100%) with respect to state-of-the-art integration techniques, also better preserving the local topology of small structures such as conduction channels in scars. Data from seventeen VT patients were also used to study the feasibility of the QCM technique in a clinical setting, consistently outperforming the alternative integration techniques in the presence of sparse and noisy clinical data. The proposed evaluation framework has allowed a rigorous comparison of different EAM and imaging data integration strategies, providing useful information to better guide clinical practice in complex cardiac interventions. Copyright © 2016 Elsevier B.V. All rights reserved.

Computer simulation of liquid metals

NASA Astrophysics Data System (ADS)

Belashchenko, D. K.

2013-12-01

Methods for and the results of the computer simulation of liquid metals are reviewed. Two basic methods, classical molecular dynamics with known interparticle potentials and the ab initio method, are considered. Most attention is given to the simulated results obtained using the embedded atom model (EAM). The thermodynamic, structural, and diffusion properties of liquid metal models under normal and extreme (shock) pressure conditions are considered. Liquid-metal simulated results for the Groups I - IV elements, a number of transition metals, and some binary systems (Fe - C, Fe - S) are examined. Possibilities for the simulation to account for the thermal contribution of delocalized electrons to energy and pressure are considered. Solidification features of supercooled metals are also discussed.

Using an electronic activity monitor system as an intervention modality: A systematic review.

PubMed

Lewis, Zakkoyya H; Lyons, Elizabeth J; Jarvis, Jessica M; Baillargeon, Jacques

2015-06-24

Obesity is a growing global health concern that may lead to cardiovascular disease, type II diabetes, and cancer. Several systematic reviews have shown that technology is successful in combating obesity through increased physical activity, but there is no known review on interventions that use an electronic activity monitor system (EAMS). EAMSs are defined as a wearable device that objectively measures lifestyle physical activity and can provide feedback, beyond the display of basic activity count information, via the monitor display or through a partnering application to elicit continual self-monitoring of activity behavior. These devices improve upon standard pedometers because they have the ability to provide visual feedback on activity progression, verbal encouragement, and social comparison. This systematic review aimed to synthesize the efficacy and feasibility results of EAMSs within published physical activity interventions. Electronic databases and journal references were searched for relevant articles. Data sources included CINAHL, Cochrane CENTRAL, Medline Ovid, PsycINFO, and clinicaltrials.gov. Out of the 1,574 retrieved, 11 articles met the inclusion criteria. These articles were reviewed for quality and content based on a risk of bias tool and intervention components. Most articles were determined to be of medium quality while two were of low quality, and one of high quality. Significant pre-post improvements in the EAMS group were found in five of nine studies for physical activity and in four of five studies for weight. One found a significant increase in physical activity and two studies found significant weight loss in the intervention group compared with the comparator group. The EAMS interventions appear to be feasible with most studies reporting continual wear of the device during waking hours and a higher retention rate of participants in the EAMS groups. These studies provide preliminary evidence suggesting that EAMS can increase physical activity and decrease weight significantly, but their efficacy compared to other interventions has not yet been demonstrated. More high-quality randomized controlled trials are needed to evaluate the overall effect of EAMS, examine which EAMS features are most effective, and determine which populations are most receptive to an EAMS.

Effects of atmospheric air plasma treatment of graphite and carbon felt electrodes on the anodic current from Shewanella attached cells.

PubMed

Epifanio, Monica; Inguva, Saikumar; Kitching, Michael; Mosnier, Jean-Paul; Marsili, Enrico

2015-12-01

The attachment of electrochemically active microorganisms (EAM) on an electrode is determined by both the chemistry and topography of the electrode surface. Pre-treatment of the electrode surface by atmospheric air plasma introduces hydrophilic functional groups, thereby increasing cell attachment and electroactivity in short-term experiments. In this study, we use graphite and carbon felt electrodes to grow the model EAM Shewanella loihica PV-4 at oxidative potential (0.2 V vs. Ag/AgCl). Cell attachment and electroactivity are measured through electrodynamic methods. Atmospheric air plasma pre-treatment increases cell attachment and current output at graphite electrodes by 25%, while it improves the electroactivity of the carbon felt electrodes by 450%. Air plasma pre-treatment decreased the coulombic efficiency on both carbon felt and graphite electrodes by 60% and 80%, respectively. Microbially produced flavins adsorb preferentially at the graphite electrode, and air plasma pre-treatment results in lower flavin adsorption at both graphite and carbon felt electrodes. Results show that air plasma pre-treatment is a feasible option to increase current output in bioelectrochemical systems. Copyright © 2015 Elsevier B.V. All rights reserved.

77 FR 14513 - Combined Notice of Filings #2

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-12

..., Northern Iowa Windpower, LLC, EAM Nelson Holding, LLC, EWO Marketing, LLC, Entergy Rhode Island State Energy, L.P. Description: Supplemental information of EAM Nelson Holding, LLC, et al. Filed Date: 03/02...

Predicting Earth orientation changes from global forecasts of atmosphere-hydrosphere dynamics

NASA Astrophysics Data System (ADS)

Dobslaw, Henryk; Dill, Robert

2018-02-01

Effective Angular Momentum (EAM) functions obtained from global numerical simulations of atmosphere, ocean, and land surface dynamics are routinely processed by the Earth System Modelling group at Deutsches GeoForschungsZentrum. EAM functions are available since January 1976 with up to 3 h temporal resolution. Additionally, 6 days-long EAM forecasts are routinely published every day. Based on hindcast experiments with 305 individual predictions distributed over 15 months, we demonstrate that EAM forecasts improve the prediction accuracy of the Earth Orientation Parameters at all forecast horizons between 1 and 6 days. At day 6, prediction accuracy improves down to 1.76 mas for the terrestrial pole offset, and 2.6 mas for Δ UT1, which correspond to an accuracy increase of about 41% over predictions published in Bulletin A by the International Earth Rotation and Reference System Service.

East Asian Monsoon and EL NIÑO-SOUTHERN Oscillation Activities Since the Mid-Holocene Evidences from Massive Corals in the the Central Vietnamese Coast, Western South China Sea

NASA Astrophysics Data System (ADS)

Nguyen, A. D.; Zhao, J.; Feng, Y.; Yu, K.; Gasparon, M.; U-Series Dating Technique Team

2011-12-01

The climate of the Vietnamese coast, western South China Sea (SCS), is driven by the annually reversing East Asian Monsoon (EAM) system which is also related to the El Niño-Southern Oscillation (ENSO) through teleconnection. Our understanding of EAM activity and its connection with global climate is not fully established. In this study high resolution Sr/Ca and δ18O records derived from four fossil Porites sp. corals with U-series ages ranging from ~7000 to 1800 years (yrs) were used to characterise the EAM-ENSO activities since the mid-Holocene. The results show that both the summer and winter monsoons were stronger than present ~ 7000 yrs ago, as evidenced by the higher-than-present amplitudes of annual cycles in SST (9.1 °C) and seawater δ18O (1.4%). The strengthened summer monsoon is considered to result from higher Northern Hemispheric insolation during the mid-Holocene, while the enhanced winter monsoon could be attributed to a reduction/shutdown of North Atlantic Meridional Overturning (NAMOC), leading to a prevailing "cold tongue" off the Vietnamese coast, and an amplified east-west SST gradient in the northern SCS. The EAM was weakened ca. 4200 yrs ago, as reflected by the lower amplitude of SST (4.3 °C) and seawater δ18O (0.57%) annual cycles. The downturn of the EAM is correlated in timing with the cold phase or the Bond event of the high-latitude climate, the Neolithic cultural collapse in China, and the strengthened ENSO in the Pacific. After this downturn, the EAM was slightly strengthened ~3600 and 1800 yrs ago as shown by larger amplitudes of SST (~ 5 °C) and seawater δ18O (1.0-1.2%) annual cycles. The enhanced EAM at these times are out of phase with the high-latitude climate, but are consistent with evidence from historical documents in Vietnam and China. The waxing/waning of the EAM appear to match with the waning/waxing of the ENSO intensity throughout the records since the mid-Holocene. The changes in EAM activity were accompanied by corresponding variations in the annual rainfall pattern, demonstrated by the difference in the timing of the onset and withdrawal of the rainy season. For instance, around 4200 yrs ago, the rainy season started 5.5 months earlier, compared with other times, including the present.

Nanothermodynamics of iron clusters: Small clusters, icosahedral and fcc-cuboctahedral structures

NASA Astrophysics Data System (ADS)

Angelié, C.; Soudan, J.-M.

2017-05-01

The study of the thermodynamics and structures of iron clusters has been carried on, focusing on small clusters and initial icosahedral and fcc-cuboctahedral structures. Two combined tools are used. First, energy intervals are explored by the Monte Carlo algorithm, called σ-mapping, detailed in the work of Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. In its flat histogram version, it provides the classical density of states, gp(Ep), in terms of the potential energy of the system. Second, the iron system is described by a potential which is called "corrected EAM" (cEAM), explained in the work of Basire et al. [J. Chem. Phys. 141, 104304 (2014), Paper II]. Small clusters from 3 to 12 atoms in their ground state have been compared first with published Density Functional Theory (DFT) calculations, giving a complete agreement of geometries. The series of 13, 55, 147, and 309 atom icosahedrons is shown to be the most stable form for the cEAM potential. However, the 147 atom cluster has a special behaviour, since decreasing the energy from the liquid zone leads to the irreversible trapping of the cluster in a reproducible amorphous state, 7.38 eV higher in energy than the icosahedron. This behaviour is not observed at the higher size of 309 atoms. The heat capacity of the 55, 147, and 309 atom clusters revealed a pronounced peak in the solid zone, related to a solid-solid transition, prior to the melting peak. The corresponding series of 13, 55, and 147 atom cuboctahedrons has been compared, underscoring the unstability towards the icosahedral structure. This unstability occurs clearly in several steps for the 147 atom cluster, with a sudden transformation at a transition state. This illustrates the concerted icosahedron-cuboctahedron transformation of Buckminster Fuller-Mackay, which is calculated for the cEAM potential. Two other clusters of initial fcc structures with 24 and 38 atoms have been studied, as well as a 302 atom cluster. Each one relaxes towards a more stable structure without regularity. The 38 atom cluster exhibits a nearly glassy relaxation, through a cascade of six metastable states of long life. This behaviour, as that of the 147 atom cluster towards the amorphous state, shows that difficulties to reach ergodicity in the lower half of the solid zone are related to particular features of the potential energy landscape, and not necessarily to a too large size of the system. Comparisons of the cEAM iron system with published results about Lennard-Jones systems and DFT calculations are made. The results of the previous clusters have been combined with that of Paper II to plot the cohesive energy Ec and the melting temperature Tm in terms of the cluster atom number Nat. The Nat -1 /3 linear dependence of the melting temperature (Pawlow law) is observed again for Nat > 150. In contrast, for Nat < 150, the curve diverges strongly from the Pawlow law, giving it an overall V-shape, with a linear increase of Tm when Nat goes from 55 to 13 atoms. Surprisingly, the 38 atom cluster is anomalously below the overall curve.

A Case for Application Oblivious Energy-Efficient MPI Runtime

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

Venkatesh, Akshay; Vishnu, Abhinav; Hamidouche, Khaled

Power has become the major impediment in designing large scale high-end systems. Message Passing Interface (MPI) is the {\\em de facto} communication interface used as the back-end for designing applications, programming models and runtime for these systems. Slack --- the time spent by an MPI process in a single MPI call --- provides a potential for energy and power savings, if an appropriate power reduction technique such as core-idling/Dynamic Voltage and Frequency Scaling (DVFS) can be applied without perturbing application's execution time. Existing techniques that exploit slack for power savings assume that application behavior repeats across iterations/executions. However, an increasingmore » use of adaptive, data-dependent workloads combined with system factors (OS noise, congestion) makes this assumption invalid. This paper proposes and implements Energy Aware MPI (EAM) --- an application-oblivious energy-efficient MPI runtime. EAM uses a combination of communication models of common MPI primitives (point-to-point, collective, progress, blocking/non-blocking) and an online observation of slack for maximizing energy efficiency. Each power lever incurs time overhead, which must be amortized over slack to minimize degradation. When predicted communication time exceeds a lever overhead, the lever is used {\\em as soon as possible} --- to maximize energy efficiency. When mis-prediction occurs, the lever(s) are used automatically at specific intervals for amortization. We implement EAM using MVAPICH2 and evaluate it on ten applications using up to 4096 processes. Our performance evaluation on an InfiniBand cluster indicates that EAM can reduce energy consumption by 5--41\\% in comparison to the default approach, with negligible (less than 4\\% in all cases) performance loss.« less

An exploration of the professional competencies required in engineering asset management

NASA Astrophysics Data System (ADS)

Bish, Adelle J.; Newton, Cameron J.; Browning, Vicky; O'Connor, Peter; Anibaldi, Renata

2014-07-01

Engineering asset management (EAM) is a rapidly growing and developing field. However, efforts to select and develop engineers in this area are complicated by our lack of understanding of the full range of competencies required to perform. This exploratory study sought to clarify and categorise the professional competencies required of individuals at different hierarchical levels within EAM. Data from 14 field interviews, 61 online surveys, and 10 expert panel interviews were used to develop an initial professional competency framework. Overall, nine competency clusters were identified. These clusters indicate that engineers working in this field need to be able to collaborate and influence others, complete objectives within organisational guidelines, and be able to manage themselves effectively. Limitations and potential uses of this framework in engineering education and research are discussed.

Vector Quantization Algorithm Based on Associative Memories

NASA Astrophysics Data System (ADS)

Guzmán, Enrique; Pogrebnyak, Oleksiy; Yáñez, Cornelio; Manrique, Pablo

This paper presents a vector quantization algorithm for image compression based on extended associative memories. The proposed algorithm is divided in two stages. First, an associative network is generated applying the learning phase of the extended associative memories between a codebook generated by the LBG algorithm and a training set. This associative network is named EAM-codebook and represents a new codebook which is used in the next stage. The EAM-codebook establishes a relation between training set and the LBG codebook. Second, the vector quantization process is performed by means of the recalling stage of EAM using as associative memory the EAM-codebook. This process generates a set of the class indices to which each input vector belongs. With respect to the LBG algorithm, the main advantages offered by the proposed algorithm is high processing speed and low demand of resources (system memory); results of image compression and quality are presented.

Assessing collective affect recognition via the Emotional Aperture Measure.

PubMed

Sanchez-Burks, Jeffrey; Bartel, Caroline A; Rees, Laura; Huy, Quy

2016-01-01

Curiosity about collective affect is undergoing a revival in many fields. This literature, tracing back to Le Bon's seminal work on crowd psychology, has established the veracity of collective affect and demonstrated its influence on a wide range of group dynamics. More recently, an interest in the perception of collective affect has emerged, revealing a need for a methodological approach for assessing collective emotion recognition to complement measures of individual emotion recognition. This article addresses this need by introducing the Emotional Aperture Measure (EAM). Three studies provide evidence that collective affect recognition requires a processing style distinct from individual emotion recognition and establishes the validity and reliability of the EAM. A sample of working managers further shows how the EAM provides unique insights into how individuals interact with collectives. We discuss how the EAM can advance several lines of research on collective affect.

Standardized unfold mapping: a technique to permit left atrial regional data display and analysis.

PubMed

Williams, Steven E; Tobon-Gomez, Catalina; Zuluaga, Maria A; Chubb, Henry; Butakoff, Constantine; Karim, Rashed; Ahmed, Elena; Camara, Oscar; Rhode, Kawal S

2017-10-01

Left atrial arrhythmia substrate assessment can involve multiple imaging and electrical modalities, but visual analysis of data on 3D surfaces is time-consuming and suffers from limited reproducibility. Unfold maps (e.g., the left ventricular bull's eye plot) allow 2D visualization, facilitate multimodal data representation, and provide a common reference space for inter-subject comparison. The aim of this work is to develop a method for automatic representation of multimodal information on a left atrial standardized unfold map (LA-SUM). The LA-SUM technique was developed and validated using 18 electroanatomic mapping (EAM) LA geometries before being applied to ten cardiac magnetic resonance/EAM paired geometries. The LA-SUM was defined as an unfold template of an average LA mesh, and registration of clinical data to this mesh facilitated creation of new LA-SUMs by surface parameterization. The LA-SUM represents 24 LA regions on a flattened surface. Intra-observer variability of LA-SUMs for both EAM and CMR datasets was minimal; root-mean square difference of 0.008 ± 0.010 and 0.007 ± 0.005 ms (local activation time maps), 0.068 ± 0.063 gs (force-time integral maps), and 0.031 ± 0.026 (CMR LGE signal intensity maps). Following validation, LA-SUMs were used for automatic quantification of post-ablation scar formation using CMR imaging, demonstrating a weak but significant relationship between ablation force-time integral and scar coverage (R 2  = 0.18, P < 0.0001). The proposed LA-SUM displays an integrated unfold map for multimodal information. The method is applicable to any LA surface, including those derived from imaging and EAM systems. The LA-SUM would facilitate standardization of future research studies involving segmental analysis of the LA.

Impacts of the East Asian Monsoon on springtime dust concentrations over China: IMPACTS OF MONSOON ON DUST

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

Lou, Sijia; Russell, Lynn M.; Yang, Yang

We use 150 year preindustrial simulations of the Community Earth System Model to quantify the impacts of the East Asian Monsoon strength on interannual variations of springtime dust concentrations over China. The simulated interannual variations in March-April-May (MAM) dust column concentrations range between 20–40% and 10–60% over eastern and western China, respectively. The dust concentrations over eastern China correlate negatively with the East Asian Monsoon (EAM) index, which represents the strength of monsoon, with a regionally averaged correlation coefficient of 0.64. Relative to the strongest EAM years, MAMdust concentrations in the weakest EAM years are higher over China, with regionalmore » relative differences of 55.6%, 29.6%, and 13.9% in the run with emissions calculated interactively and of 33.8%, 10.3%, and 8.2% over eastern, central, and western China, respectively, in the run with prescribed emissions. Both interactive run and prescribed emission run show the similar pattern of climate change between the weakest and strongest EAM years. Strong anomalous northwesterly and westerly winds over the Gobi and Taklamakan deserts during the weakest EAM years result in larger transport fluxes, and thereby increase the dust concentrations over China. These differences in dust concentrations between the weakest and strongest EAM years (weakest-strongest) lead to the change in the net radiative forcing by up to 8 and 3Wm2 at the surface, compared to 2.4 and +1.2Wm2 at the top of the atmosphere over eastern and western China, respectively.« less

Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: A GPU-accelerated molecular dynamics software

NASA Astrophysics Data System (ADS)

Yang, Lin; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Travesset, Alex

2018-04-01

We present an implementation of EAM and FS interatomic potentials, which are widely used in simulating metallic systems, in HOOMD-blue, a software designed to perform classical molecular dynamics simulations using GPU accelerations. We first discuss the details of our implementation and then report extensive benchmark tests. We demonstrate that single-precision floating point operations efficiently implemented on GPUs can produce sufficient accuracy when compared against double-precision codes, as demonstrated in test simulations of calculations of the glass-transition temperature of Cu64.5Zr35.5, and pair correlation function g (r) of liquid Ni3Al. Our code scales well with the size of the simulating system on NVIDIA Tesla M40 and P100 GPUs. Compared with another popular software LAMMPS running on 32 cores of AMD Opteron 6220 processors, the GPU/CPU performance ratio can reach as high as 4.6. The source code can be accessed through the HOOMD-blue web page for free by any interested user.

113Gb/s (10 x 11.3Gb/s) ultra-low power EAM driver array.

PubMed

Vaernewyck, Renato; Bauwelinck, Johan; Yin, Xin; Pierco, Ramses; Verbrugghe, Jochen; Torfs, Guy; Li, Zhisheng; Qiu, Xing-Zhi; Vandewege, Jan; Cronin, Richard; Borghesani, Anna; Moodie, David

2013-01-14

This paper presents an ultra-low power SiGe BiCMOS IC for driving a 10 channel electro-absorption modulator (EAM) array at 113Gb/s for wavelength division multiplexing passive optical network (WDM-PON) applications. With an output swing of 2.5V(pp), the EAM driver array consumes only 2.2W or 220mW per channel, 50% below the state of the art. Both the output swing and bias are configurable between 1.5 and 3.0V(pp) and 0.75-2.15V respectively.

A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium

DOE PAGES

Vella, Joseph R.; Stillinger, Frank H.; Panagiotopoulos, Athanassios Z.; ...

2015-07-23

Here, we compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom-method (EAM) type. The coexistence properties we focus on are the melting curve, vapor pressure, saturated liquid density, and vapor-liquid surface tension. For each property studied, the simulation results are compared to available experimental data in order to properly assess the accuracy of each potential. We find that the Cui 2NN MEAM is the most robust potential, giving adequate agreement with most of the properties examined. For example, the zero-pressure melting point of this potentialmore » is shown to be around 443 K, while experimentally is it about 454 K. This potential also gives excellent agreement with saturated liquid densities, even though no liquid properties were used in the fitting procedure. Our study allows us to conclude that the Cui 2NN MEAM should be used for further simulations of lithiums.« less

Myocardial Scar Imaging by Standard Single-Energy and Dual-Energy Late Enhancement Computed Tomography: Comparison to Pathology and Electroanatomical Map in an Experimental Chronic Infarct Porcine Model

PubMed Central

Truong, Quynh A.; Thai, Wai-ee; Wai, Bryan; Cordaro, Kevin; Cheng, Teresa; Beaudoin, Jonathan; Xiong, Guanglei; Cheung, Jim W.; Altman, Robert; Min, James K.; Singh, Jagmeet P.; Barrett, Conor D.; Danik, Stephan

2015-01-01

Background Myocardial scar is a substrate for ventricular tachycardia and sudden cardiac death. Late enhancement computed tomography (CT) imaging can detect scar, but it remains unclear whether newer late enhancement dual-energy (LE-DECT) acquisition has benefit over standard single-energy late enhancement (LE-CT). Objective We aim to compare late enhancement CT using newer LE-DECT acquisition and single-energy LE-CT acquisitions to pathology and electroanatomical map (EAM) in an experimental chronic myocardial infarction (MI) porcine study. Methods In 8 chronic MI pigs (59±5 kg), we performed dual-source CT, EAM, and pathology. For CT imaging, we performed 3 acquisitions at 10 minutes post-contrast: LE-CT 80 kV, LE-CT 100 kV, and LE-DECT with two post-processing software settings. Results Of the sequences, LE-CT 100 kV provided the best contrast-to-noise ratio (all p≤0.03) and correlation to pathology for scar (ρ=0.88). While LE-DECT overestimated scar (both p=0.02), LE-CT images did not (both p=0.08). On a segment basis (n=136), all CT sequences had high specificity (87–93%) and modest sensitivity (50–67%), with LE-CT 100 kV having the highest specificity of 93% for scar detection compared to pathology and agreement with EAM (κ 0.69). Conclusions Standard single-energy LE-CT, particularly 100kV, matched better to pathology and EAM than dual-energy LE-DECT for scar detection. Larger human trials as well as more technical-based studies that optimize varying different energies with newer hardware and software are warranted. PMID:25977115

Diffusion on Cu surfaces

NASA Technical Reports Server (NTRS)

Karimi, Majid

1993-01-01

Understanding surface diffusion is essential in understanding surface phenomena, such as crystal growth, thin film growth, corrosion, physisorption, and chemisorption. Because of its importance, various experimental and theoretical efforts have been directed to understand this phenomena. The Field Ion Microscope (FIM) has been the major experimental tool for studying surface diffusion. FIM have been employed by various research groups to study surface diffusion of adatoms. Because of limitations of the FIM, such studies are only limited to a few surfaces: nickel, platinum, aluminum, iridium, tungsten, and rhodium. From the theoretical standpoint, various atomistic simulations are performed to study surface diffusion. In most of these calculations the Embedded Atom Method (EAM) along with the molecular static (MS) simulation are utilized. The EAM is a semi-empirical approach for modeling the interatomic interactions. The MS simulation is a technique for minimizing the total energy of a system of particles with respect to the positions of its particles. One of the objectives of this work is to develop the EAM functions for Cu and use them in conjunction with the molecular static (MS) simulation to study diffusion of a Cu atom on a perfect as well as stepped Cu(100) surfaces. This will provide a test of the validity of the EAM functions on Cu(100) surface and near the stepped environments. In particular, we construct a terrace-ledge-kink (TLK) model and calculate the migration energies of an atom on a terrace, near a ledge site, near a kink site, and going over a descending step. We have also calculated formation energies of an atom on the bare surface, a vacancy in the surface, a stepped surface, and a stepped-kink surface. Our results are compared with the available experimental and theoretical results.

A tungsten-rhenium interatomic potential for point defect studies

DOE PAGES

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

2018-05-28

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method (EAM) interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures inmore » the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancy and self-interstitial defects sufficiently accurately, and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).« less

A tungsten-rhenium interatomic potential for point defect studies

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

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method (EAM) interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures inmore » the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancy and self-interstitial defects sufficiently accurately, and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).« less

Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: A GPU-accelerated molecular dynamics software

DOE PAGES

Yang, Lin; Zhang, Feng; Wang, Cai-Zhuang; ...

2018-01-12

We present an implementation of EAM and FS interatomic potentials, which are widely used in simulating metallic systems, in HOOMD-blue, a software designed to perform classical molecular dynamics simulations using GPU accelerations. We first discuss the details of our implementation and then report extensive benchmark tests. We demonstrate that single-precision floating point operations efficiently implemented on GPUs can produce sufficient accuracy when compared against double-precision codes, as demonstrated in test simulations of calculations of the glass-transition temperature of Cu 64.5Zr 35.5, and pair correlation function of liquid Ni 3Al. Our code scales well with the size of the simulating systemmore » on NVIDIA Tesla M40 and P100 GPUs. Compared with another popular software LAMMPS running on 32 cores of AMD Opteron 6220 processors, the GPU/CPU performance ratio can reach as high as 4.6. In conclusion, the source code can be accessed through the HOOMD-blue web page for free by any interested user.« less

Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: A GPU-accelerated molecular dynamics software

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

Yang, Lin; Zhang, Feng; Wang, Cai-Zhuang

We present an implementation of EAM and FS interatomic potentials, which are widely used in simulating metallic systems, in HOOMD-blue, a software designed to perform classical molecular dynamics simulations using GPU accelerations. We first discuss the details of our implementation and then report extensive benchmark tests. We demonstrate that single-precision floating point operations efficiently implemented on GPUs can produce sufficient accuracy when compared against double-precision codes, as demonstrated in test simulations of calculations of the glass-transition temperature of Cu 64.5Zr 35.5, and pair correlation function of liquid Ni 3Al. Our code scales well with the size of the simulating systemmore » on NVIDIA Tesla M40 and P100 GPUs. Compared with another popular software LAMMPS running on 32 cores of AMD Opteron 6220 processors, the GPU/CPU performance ratio can reach as high as 4.6. In conclusion, the source code can be accessed through the HOOMD-blue web page for free by any interested user.« less

Ring-resonator-integrated tunable external cavity laser employing EAM and SOA.

PubMed

Yoon, Ki-Hong; Kwon, O-Kyun; Kim, Ki Soo; Choi, Byung-Seok; Oh, Su Hwan; Kim, Hyun Su; Sim, Jae-Sik; Kim, Chul Soo

2011-12-05

We propose and demonstrate a tunable external cavity laser (ECL) composed of a polymer Bragg reflector (PBR) and integrated gain chip with gain, a ring resonator, an electro-absorption modulator (EAM), and a semiconductor optical amplifier (SOA). The cavity of the laser is composed of the PBR, gain, and ring resonator. The ring resonator reflects the predetermined wavelengths into the gain region and transmits the output signal into integrated devices such as the EAM and SOA. The output wavelength of the tunable laser is discretely tuned in steps of about 0.8 nm through the thermal-optic effect of the PBR and predetermined mode spacing of the ring resonator.

Endothelial Activation by Platelets from Sickle Cell Anemia Patients

PubMed Central

Proença-Ferreira, Renata; Brugnerotto, Ana Flávia; Garrido, Vanessa Tonin; Dominical, Venina Marcela; Vital, Daiana Morelli; Ribeiro, Marilene de Fátima Reis; dos Santos, Melissa Ercolin; Traina, Fabíola; Olalla-Saad, Sara T.; Costa, Fernando Ferreira; Conran, Nicola

2014-01-01

Sickle cell anemia (SCA) is associated with a hypercoagulable state. Increased platelet activation is reported in SCA and SCA platelets may present augmented adhesion to the vascular endothelium, potentially contributing to the vaso-occlusive process. We sought to observe the effects of platelets (PLTs) from healthy control (CON) individuals and SCA individuals on endothelial activation, in vitro. Human umbilical vein endothelial cells (HUVEC) were cultured, in the presence, or not, of washed PLTs from CON or steady-state SCA individuals. Supernatants were reserved for cytokine quantification, and endothelial adhesion molecules (EAM) were analyzed by flow cytometry; gene expressions of ICAM1 and genes of the NF-κB pathway were analyzed by qPCR. SCA PLTs were found to be more inflammatory, displaying increased adhesive properties, an increased production of IL-1β and a tendency towards elevated expressions of P-selectin and activated αIIbβ3. Following culture in the presence of SCA PLTs, HUVEC presented significant augmentations in the expressions of the EAM, ICAM-1 and E-selectin, as well as increased IL-8 production and increased ICAM1 and NFKB1 (encodes p50 subunit of NF-κB) gene expressions. Interestingly, transwell inserts abolished the effects of SCA PLTs on EAM expression. Furthermore, an inhibitor of the NF-κB pathway, BAY 11-7082, also prevented the induction of EAM expression on the HUVEC surface by SCA PLTs. In conclusion, we find further evidence to indicate that platelets circulate in an activated state in sickle cell disease and are capable of stimulating endothelial cell activation. This effect appears to be mediated by direct contact, or even adhesion, between the platelets and endothelial cells and via NFκB-dependent signaling. As such, activated platelets in SCD may contribute to endothelial activation and, therefore, to the vaso-occlusive process. Results provide further evidence to support the use of anti-platelet approaches in association with other therapies for SCD. PMID:24551209

Protective effect of Azolla microphylla on biochemical, histopathological and molecular changes induced by isoproterenol in rats.

PubMed

Bhaskaran, Sreenath Kunnathupara; Kannappan, Poornima

2017-05-01

Azolla microphylla is an important fast-growing aquatic plant trusted for its agronomic, nutritious and therapeutic uses. The present work is undertaken to investigate the protective effect of the ethanolic extract of Azolla microphylla (EAM) against the Isoproterenol (ISO) induced cardiotoxicity in rats. Rats were pre-treated with EAM (250 and 500mg/kg b.w.) for 28 days along with ISO (85mg/kg; s.c.) on the 29th and 30th days. ISO-induced rats displayed significant diminution in cardiac antioxidant enzymes activities, increased lipid peroxidation and alteration in cardiac marker enzymes. The same group also displayed an increase in levels of serum lipid profiles and pro-inflammatory cytokines (IL-6 and IL-8) accompanied with a significant reduction in the anti-inflammatory cytokine levels (IL-10). Moreover, the histopathological investigations in the heart tissue of ISO-induced group exhibited myocardial necrosis and inflammation, which correlated with the increased immunoreactivity for Bax/iNOS, whereas an absence of reactivity for Bcl-2 proteins. However, in EAM pre-treated rats, the activities of antioxidant enzymes, cardiac marker enzymes, membrane-bound ATPases together with the levels of lipid profile, non-enzymatic antioxidants, pro and anti-inflammatory cytokines were maintained at normalcy that was further supported by improving histopathological changes and myocardial architecture. The IHC results of EAM pre-treated rats indicate up-regulated and down-regulated expressions of Bcl-2 and Bax/iNOS proteins, respectively. Thus, the present study reveals that A. microphylla alleviates myocardial damage in ISO-induced cardiac injury and demonstrates cardioprotective potential which could be attributed to its potent antioxidant and free radical scavenging activity. A possible mechanism for the protective effect is the elevated expression of endogenous antioxidant defense enzymes, anti-inflammatory cytokines, degraded lipid peroxidation products and improved energy metabolism of cardiac mitochondria, thus attenuating necrosis of the myocytes. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Mononuclear cell secretome protects from experimental autoimmune myocarditis

PubMed Central

Hoetzenecker, Konrad; Zimmermann, Matthias; Hoetzenecker, Wolfram; Schweiger, Thomas; Kollmann, Dagmar; Mildner, Michael; Hegedus, Balazs; Mitterbauer, Andreas; Hacker, Stefan; Birner, Peter; Gabriel, Christian; Gyöngyösi, Mariann; Blyszczuk, Przemyslaw; Eriksson, Urs; Ankersmit, Hendrik Jan

2015-01-01

Aims Supernatants of serum-free cultured mononuclear cells (MNC) contain a mix of immunomodulating factors (secretome), which have been shown to attenuate detrimental inflammatory responses following myocardial ischaemia. Inflammatory dilated cardiomyopathy (iDCM) is a common cause of heart failure in young patients. Experimental autoimmune myocarditis (EAM) is a CD4+ T cell-dependent model, which mirrors important pathogenic aspects of iDCM. The aim of this study was to determine the influence of MNC secretome on myocardial inflammation in the EAM model. Methods and results BALB/c mice were immunized twice with an alpha myosin heavy chain peptide together with Complete Freund adjuvant. Supernatants from mouse mononuclear cells were collected, dialysed, and injected i.p. at Day 0, Day 7, or Day 14, respectively. Myocarditis severity, T cell responses, and autoantibody formation were assessed at Day 21. The impact of MNC secretome on CD4+ T cell function and viability was evaluated using in vitro proliferation and cell viability assays. A single high-dose application of MNC secretome, injected at Day 14 after the first immunization, effectively attenuated myocardial inflammation. Mechanistically, MNC secretome induced caspase-8-dependent apoptosis in autoreactive CD4+ T cells. Conclusion MNC secretome abrogated myocardial inflammation in a CD4+ T cell-dependent animal model of autoimmune myocarditis. This anti-inflammatory effect of MNC secretome suggests a novel and simple potential treatment concept for inflammatory heart diseases. PMID:23321350

Computer-Aided Design and Computer-Aided Manufacturing Hydroxyapatite/Epoxide Acrylate Maleic Compound Construction for Craniomaxillofacial Bone Defects.

PubMed

Zhang, Lei; Shen, Shunyao; Yu, Hongbo; Shen, Steve Guofang; Wang, Xudong

2015-07-01

The aim of this study was to investigate the use of computer-aided design and computer-aided manufacturing hydroxyapatite (HA)/epoxide acrylate maleic (EAM) compound construction artificial implants for craniomaxillofacial bone defects. Computed tomography, computer-aided design/computer-aided manufacturing and three-dimensional reconstruction, as well as rapid prototyping were performed in 12 patients between 2008 and 2013. The customized HA/EAM compound artificial implants were manufactured through selective laser sintering using a rapid prototyping machine into the exact geometric shapes of the defect. The HA/EAM compound artificial implants were then implanted during surgical reconstruction. Color-coded superimpositions demonstrated the discrepancy between the virtual plan and achieved results using Geomagic Studio. As a result, the HA/EAM compound artificial bone implants were perfectly matched with the facial areas that needed reconstruction. The postoperative aesthetic and functional results were satisfactory. The color-coded superimpositions demonstrated good consistency between the virtual plan and achieved results. The three-dimensional maximum deviation is 2.12 ± 0.65  mm and the three-dimensional mean deviation is 0.27 ± 0.07  mm. No facial nerve weakness or pain was observed at the follow-up examinations. Only 1 implant had to be removed 2 months after the surgery owing to severe local infection. No other complication was noted during the follow-up period. In conclusion, computer-aided, individually fabricated HA/EAM compound construction artificial implant was a good craniomaxillofacial surgical technique that yielded improved aesthetic results and functional recovery after reconstruction.

The Evolution of Tropospheric Temperature Field and its Relationship With The Onset of Asian Summer Monsoon

NASA Technical Reports Server (NTRS)

He, H.; Sui, C-H.; Jian, M.; Wen, Z.

2000-01-01

The mean state and year-to-year variations of the tropospheric temperature fields and their relationship with the establishment of the summertime East Asian monsoon (EAM) and the Indian monsoon (INM) are studied using the NCEP reanalysis data of 15 years (1982-1996). The results show that the seasonal shift of the South Asian High in the upper troposphere and the establishment of the EAM and the INM are closely related to the seasonal warming which causes a reversal of the meridional gradient of upper tropospheric mean temperature over the monsoon regions. On the average of 15 years, the reversal time of the temperature gradient in the EAM region (INM region) is concurrent with (one pentad earlier than) the onset time of the summer monsoon. In most years of the 15-year period, the reversal of temperature gradient coincides or precedes the onset time of the summer monsoon in both the EAM region and the INM region. The results suggest an important role of thermal processes on the establishment of the Asian monsoon. The contributors to the upper tropospheric warming over the EAM region are the strong horizontal warm advection and the diabetic heating against the adiabatic cooling due to upward motion. In the INM region, strong adiabatic heating by subsidence and the diabetic heating are major warming processes against the strong horizontal cold advection related to the persistent northwestlies to the southwestern periphery of the Tibetan Plateau. It appears that the early or late establishment of the Asian summer monsoon is not directly related to the differential warming near the surface.

The study of attenuation levels and the comfort of earplugs.

PubMed

Samelli, Alessandra G; Gomes, Raquel F; Chammas, Tiago V; Silva, Bárbara G; Moreira, Renata R; Fiorini, Ana C

2018-01-01

This study aimed to analyze and compare four different types of earplugs, divided into premolded plugs and foam plug models, in relation to the level of attenuation, comfort, and the size of the external acoustic meatus (EAM) in an attempt to identify how these variables influence the choice of specific hearing protection devices (HPDs). A cross-sectional observational study was performed in a sample of 49 participants, oriented toward the ideal placement of four HPDs, two premolded and two foam plugs (3M™). The procedures included otoscopy, EAM diameter measurement using an otometer, EAM volume measurement via an acoustic impedance test, and the obtainment of the bilateral personal attenuation rating (PAR) for each HPD using the E-A-Rfit™ Validation System (3M™). The Bipolar Comfort Rating Scale (BCRS) instrument was applied twice for each individual: once after the evaluations with the premolded HPDs and again after the evaluations with the foam plug HPDs. Then, each participant was asked which was his/her favorite protector. The volume of the EAM was not directly related to the diameter of the EAM. The attenuation did not interfere with the HPD preference, and the PAR of the foam plug was significantly higher regardless of the preferred HPD. Regarding the BCRS, the variables "Placement," "Complexity," and "Occlusion Effect" had higher scores for premolded HPDs and had a direct relationship with the type of preferred HPD. Attention to the use of HPDs should be personalized, taking into account the needs of each individual, considering not only the attenuation, but also the user's reported well-being.

Integration of electro-absorption modulator in a vertical-cavity surface-emitting laser

NASA Astrophysics Data System (ADS)

Marigo-Lombart, L.; Calvez, S.; Arnoult, A.; Rumeau, A.; Viallon, C.; Thienpont, H.; Panajotov, K.; Almuneau, G.

2018-02-01

VCSELs became dominant laser sources in many short optical link applications such as datacenter, active cables, etc. Actual standards and commercialized VCSEL are providing 25 Gb/s data rates, but new solutions are expected to settle the next device generation enabling 100 Gb/s. Directly modulated VCSEL have been extensively studied and improved to reach bandwidths in the range of 26-32 GHz [Chalmers, TU Berlin], however at the price of increased applied current and thus reduced device lifetime. Furthermore, the relaxation oscillation limit still subsists with this solution. Thus, splitting the emission and the modulation functions as done with DFB lasers is a very promising alternative [TI-Tech, TU Berlin]. Here, we study the vertical integration of an ElectroAbsorption Modulator (EAM) within a VCSEL, where the output light of the VCSEL is modulated through the EAM section. In our original design, we finely optimized the EAM design to maximize the modulation depth by implementing perturbative Quantum Confined Stark Effect (QCSE) calculations, while designing the vertical integration of the EAM without penalty on the VCSEL static performances. We will present the different fabricated vertical structures, as well as the experimental electrical and optical static measurements for those configurations demonstrating a very good agreement with the reflectivity and absorption simulations obtained for both the VCSEL and the EAM-VCSEL structures. Finally, to reach very high frequency modulation we studied the BCB electrical properties up to 110 GHz and investigated coplanar and microstrip lines access to decrease both the parasitic capacitance and the influence of the substrate.

In Situ Detection of Autoreactive CD4 T Cells in Brain and Heart Using Major Histocompatibility Complex Class II Dextramers

PubMed Central

Massilamany, Chandirasegaran; Gangaplara, Arunakumar; Jia, Ting; Elowsky, Christian; Li, Qingsheng; Zhou, You; Reddy, Jay

2014-01-01

This report demonstrates the use of major histocompatibility complex (MHC) class II dextramers for detection of autoreactive CD4 T cells in situ in myelin proteolipid protein (PLP) 139-151-induced experimental autoimmune encephalomyelitis (EAE) in SJL mice and cardiac myosin heavy chain-α (Myhc) 334-352-induced experimental autoimmune myocarditis (EAM) in A/J mice. Two sets of cocktails of dextramer reagents were used, where dextramers+ cells were analyzed by laser scanning confocal microscope (LSCM): EAE, IAs/PLP 139-151 dextramers (specific)/anti-CD4 and IAs/Theiler’s murine encephalomyelitis virus (TMEV) 70-86 dextramers (control)/anti-CD4; and EAM, IAk/Myhc 334-352 dextramers/anti-CD4 and IAk/bovine ribonuclease (RNase) 43-56 dextramers (control)/anti-CD4. LSCM analysis of brain sections obtained from EAE mice showed the presence of cells positive for CD4 and PLP 139-151 dextramers, but not TMEV 70-86 dextramers suggesting that the staining obtained with PLP 139-151 dextramers was specific. Likewise, heart sections prepared from EAM mice also revealed the presence of Myhc 334-352, but not RNase 43-56-dextramer+ cells as expected. Further, a comprehensive method has also been devised to quantitatively analyze the frequencies of antigen-specific CD4 T cells in the ‘Z’ serial images. PMID:25145797

Technology-Driven Resource Sharing: Paying for Improvement.

ERIC Educational Resources Information Center

Rush, James E.

1993-01-01

Addresses the inadequacies of traditional methods of library financing and proposes a strategy to be implemented in an environment supported by automation and networks. Publisher pricing of data rather than publications, options for charging library users with debit cards, and the role of regional library networks are discussed. (EAM)

Molecular dynamic simulation for nanometric cutting of single-crystal face-centered cubic metals.

PubMed

Huang, Yanhua; Zong, Wenjun

2014-01-01

In this work, molecular dynamics simulations are performed to investigate the influence of material properties on the nanometric cutting of single crystal copper and aluminum with a diamond cutting tool. The atomic interactions in the two metallic materials are modeled by two sets of embedded atom method (EAM) potential parameters. Simulation results show that although the plastic deformation of the two materials is achieved by dislocation activities, the deformation behavior and related physical phenomena, such as the machining forces, machined surface quality, and chip morphology, are significantly different for different materials. Furthermore, the influence of material properties on the nanometric cutting has a strong dependence on the operating temperature.

Simulation of uniaxial deformation of hexagonal crystals (Mg, Be)

NASA Astrophysics Data System (ADS)

Vlasova, A. M.; Kesarev, A. G.

2017-12-01

Molecular dynamics (MD) simulations were performed for the nanocompression loading of nanocrystalline magnesium and beryllium modeled by an interatomic potential of the embedded atom method (EAM). It is shown that the main deformation modes are prismatic slip and twinning for magnesium, and only prismatic slip for beryllium. The formation of stable configurations of dislocation grids in magnesium and beryllium was observed. Dislocation networks are formed in the habit plane of the twin in a magnesium nanocrystall. Some dislocation reactions are suggested to explain the appearance of such networks. Shockley partial dislocations in a beryllium nanocrystall form grids in the slip plane. A strong anisotropy between slip systems was observed, which is in agreement with experimental data.

Microwave generation in an electro-absorption modulator integrated with a DFB laser subject to optical injection.

PubMed

Zhu, Ning Hua; Zhang, Hong Guang; Man, Jiang Wei; Zhu, Hong Liang; Ke, Jian Hong; Liu, Yu; Wang, Xin; Yuan, Hai Qing; Xie, Liang; Wang, Wei

2009-11-23

This paper presents a new technique to generate microwave signal using an electro-absorption modulator (EAM) integrated with a distributed feedback (DFB) laser subject to optical injection. Experiments show that the frequency of the generated microwave can be tuned by changing the wavelength of the external laser or adjusting the bias voltage of the EAM. The frequency response of the EAM is studied and found to be unsmooth due to packaging parasitic effects and four-wave mixing effect occurring in the active layer of the DFB laser. It is also demonstrated that an EA modulator integrated in between two DFB lasers can be used instead of the EML under optical injection. This integrated chip can be used to realize a monolithically integrated tunable microwave source.

Interocular Difference of Peripheral Refraction in Anisomyopic Eyes of Schoolchildren.

PubMed

Chen, Junhong; He, Ji C; Chen, Yunyun; Xu, Jingjing; Wu, Haoran; Wang, Feifu; Lu, Fan; Jiang, Jun

2016-01-01

Refraction in the peripheral visual field is believed to play an important role in the development of myopia. The purpose of this study was to investigate the differences in peripheral refraction among anisomyopia, isomyopia, and isoemmetropia for schoolchildren. Thirty-eight anisomyopic children were recruited and divided into two groups: (1) both eyes were myopic (anisomyopic group, AM group) and (2) one eye was myopic and the contralateral eye was emmetropic (emmetropic anisomyopic group, EAM group). As controls, 45 isomyopic and isoemmetropic children were also recruited with age and central spherical equivalent (SE) matched to those of the AM and EAM groups. The controls were divided into three groups: (1) intermediate myopia group (SE matched to the more myopic eye of AM group), (2) low myopia group (SE matched to the less myopic eye of AM group and the more myopic eye of EAM group), and (3) emmetropia group (SE matched to the less myopic eye of EAM group). Peripheral refraction at 7 points across the central ±30° on the horizontal visual field with a 10° interval was measured with an autorefractor. Axial length (AL), corneal curvature (CC), and anterior chamber depth (ACD) were also determined by using the Zeiss IOL-Master. The relative peripheral spherical equivalent [RPR(M)] and relative peripheral spherical value [RPR(S)] of the more myopic eye was shifted more hyperopically than the contralateral eye in both the AM and the EAM groups (both p<0.0001). The RPR(M, S) of the less myopic eyes in the AM and EAM groups showed a relatively flat trend across the visual field and were not significantly different from the emmetropia group. The RPR(M, S) of less myopic eyes in the AM group were shifted less hyperopically than in the isomyopic low myopia group and the more myopic eye of the EAM group [RPR(M), p = 0.007; RPR(S), p = 0.001], although the central SEs of the three groups were not significantly different from each other. However, RPR(M, S) of the more myopic eyes were not different from the corresponding isomyopic groups. There was also no significant difference in the relative peripheral astigmatism [RPR(J0, J45)] between the more and the less myopic eyes in either the AM or the EAM group. Refraction of anisomyopia differs between the two eyes not only at the central visual field but also at the off-axis periphery. The relative peripheral refraction of the more myopic eye of anisomyopia was shifted hyperopically, as occurs in isomyopia with similar central subjective SE values. Less myopic eyes were much less hyperopically shifted in relative peripheral refraction than the corresponding isomyopic eyes, but are comparable to emmetropic eyes. This emmetropia-like relative peripheral refraction in less myopic eyes might be a factor responsible for slowing down the progression of myopia.

Advanced Monitoring of Migratory Birds on Military Lands

DTIC Science & Technology

2010-03-01

BRSP Brewer‟s Sparrow BTSP Black - throated Sparrow BLGR Blue Grosbeak CAKI Cassin‟s Kingbird CONI Common Nighthawk EAME Eastern...Fuller et al. 1998). This approach has been used for many species, ranging from Black - throated Sparrow (Amphispiza bilineata, Pidgeon et al 2003) to...lightest yellow indicates a predicted abundance of zero. Species acronym key: BTSP Black - throated Sparrow ; EAME Eastern Meadowlark; WEKI Western

Differences in Arachidonic Acid Levels and Fatty Acid Desaturase (FADS) Gene Variants in African Americans and European Americans with Diabetes/Metabolic Syndrome

PubMed Central

Sergeant, Susan; Hugenschmidt, Christina E.; Rudock, Megan E.; Ziegler, Julie T.; Ivester, Priscilla; Ainsworth, Hannah C.; Vaidya, Dhananjay; Case, L. Douglas; Langefeld, Carl D.; Freedman, Barry I.; Bowden, Donald W.; Mathias, Rasika A.; Chilton, Floyd H.

2012-01-01

Over the past 50 years, increases in dietary n-6 polyunsaturated fatty acids (PUFAs), such as linoleic acid, have been hypothesized to cause or exacerbate chronic inflammatory diseases. This study examines an individual’s innate capacity to synthesize n-6-long chain PUFAs (LC-PUFAs), with respect to the fatty acid desaturase (FADS) locus in Americans of African and European descent with diabetes/metabolic syndrome. Compared to European Americans (EAm), African Americans (AfAm) exhibited markedly higher serum levels of arachidonic acid (AA) (EAm 7.9±2.1; AfAm 9.8±1.9 % of total fatty acids, mean ± sd; p<2.29×10−9) and the AA to n-6-precursor fatty acid ratio, which estimates FADS1 activity (EAm 5.4±2.2, AfAm 6.9±2.2; p=1.44×10−5). Seven single nucleotide polymorphisms (SNP) mapping to the FADS locus revealed strong association with AA, eicosapentaenoic acid (EPA) and dihomogamma-linolenic acid (DGLA) in the EAm. Importantly, EAm homozygous for the minor allele (T) had significantly lower AA levels (TT: 6.3±1.0; GG: 8.5±2.1; p=3.0×10−5) and AA/DGLA ratios (TT: 3.4±0.8; GG: 6.5±2.3; p=2.2×10−7) but higher DGLA levels (TT: 1.9±0.4; GG: 1.4±0.4; p=3.3×10−7) compared to those homozygous for the major allele (GG). Allele frequency patterns suggest that the GG genotype at rs174537 (associated with higher circulating levels of AA) is much higher in AfAm (0.81) compared to EAm (0.46). Similarly, marked differences in rs174537 genotypic frequencies were observed in HapMap populations. These data suggest that there are likely important differences in the capacity of different populations to synthesize LC-PUFAs. These differences may provide a genetic mechanism contributing to health disparities between populations of African and European descent. PMID:21733300

Effects of 1, 25-Dihydroxyvitamin D3 on Experimental Autoimmune Myocarditis in Mice.

PubMed

Hu, Fen; Yan, Lianhua; Lu, Shuai; Ma, Wenhan; Wang, Ya; Wei, Yuzhen; Yan, Xiaofei; Zhao, Xin; Chen, Zhijian; Wang, Zhaohui; Cheng, Bo

2016-01-01

Myocarditis is an important inflammatory disease of the heart which causes life-threatening conditions. 1, 25(OH)2 D3 has effects on multiple systems and diseases. The present study was aimed to investigate the effect of 1, 25(OH)2 D3 on experimental autoimmune myocarditis (EAM), and explored the underlying mechanisms involved. EAM was induced by immunizing BALB/c mice with cardiac α-myosin heavy chain peptides (MyHC-α). 1, 25(OH)2 D3 (1,000 ng/kg once) or vehicle was administered intraperitoneally every other day during the entire experiment. On day 21, transthoracic echocardiography was performed and cardiac inflammatory infiltration was detected by hematoxylin and eosin (HE). The terminal deoxynucleotidyl transferase mediated dUTP nick-end labeling (TUNEL) assay, and Western blots for the expression of protein caspase-3 and cleaved-caspase3 were used to evaluate apoptosis. Transmission electron microscopy and Western blots for the expression of protein Beclin-1, LC3B, and P62 were used to evaluate autophagy. The ratio of heart weight/body weight was significantly reduced in 1, 25(OH)2 D3 -treated EAM mice, compared with vehicle -treated ones. 1, 25(OH)2 D3 treatment improved cardiac function, diminished cell infiltration in cardiac, suppressed myocardial apoptosis, decreased the number of autophagosomes, and decreased the protein expression of Beclin-1, LC3-II and p62. The present results demonstrated that administration of 1, 25(OH)2 D3 decreased EAM severity. 1, 25(OH)2 D3 treatment may be a feasible therapeutic approach for EAM. © 2016 The Author(s) Published by S. Karger AG, Basel.

The effect of day-neutral mutations in barley and wheat on the interaction between photoperiod and vernalization.

PubMed

Turner, Adrian S; Faure, Sébastien; Zhang, Yang; Laurie, David A

2013-09-01

Vernalization-2 (Vrn-2) is the major flowering repressor in temperate cereals. It is only expressed under long days in wild-type plants. We used two day-neutral (photoperiod insensitive) mutations that allow rapid flowering in short or long days to investigate the day length control of Vrn-2. The barley (Hordeum vulgare) early maturity8 (eam8) mutation affects the barley ELF3 gene. eam8 mutants disrupt the circadian clock resulting in elevated expression of Ppd-H1 and the floral activator HvFT1 under short or long days. When eam8 was crossed into a genetic background with a vernalization requirement Vrn-2 was expressed under all photoperiods and the early flowering phenotype was partially repressed in unvernalized (UV) plants, likely due to competition between the constitutively active photoperiod pathway and the repressing effect of Vrn-2. We also investigated the wheat (Triticum aestivum) Ppd-D1a mutation. This differs from eam8 in causing elevated levels of Ppd-1 and TaFT1 expression without affecting the circadian clock. We used genotypes that differed in "short-day vernalization". Short days were effective in promoting flowering in individuals wild type at Ppd-D1, but not in individuals that carry the Ppd-D1a mutation. The latter showed Vrn-2 expression in short days. In summary, eam8 and Ppd-D1a mimic long days in terms of photoperiod response, causing Vrn-2 to become aberrantly expressed (in short days). As Ppd-D1a does not affect the circadian clock, this also shows that clock regulation of Vrn-2 operates indirectly through one or more downstream genes, one of which may be Ppd-1.

Linking Monsoon Activity with River-Derived Sediment Deposition in the northern South China Sea

NASA Astrophysics Data System (ADS)

Ge, Q.; Xue, Z. G.; Liu, P.; Chu, F.

2016-02-01

Sediments retrieved from a gravity core were analyzed to examine the connection between East Asian Monsoon (EAM) and river-derived sediment deposition on the continental slope in the South China Sea since the Last Glacial Maximum. Combined clay mineralogy and grain size index analysis provided evidence of the sources of fine-grained sediment as well as for rebuilding the history of paleo-EAM. A shift of sediment source from the Pearl River to southwestern Taiwanese rivers was identified during the Holocene. The 4-8μm grain size fraction, as an environmental sensitive component and thus the EAM proxy, indicated the local deposition environment is mainly controlled by sea-level variations. And during the Holocene, the East Asian summer monsoon exhibited an in-phase relationship with East Asian winter monsoon, both following variations of the insolation intensity.

Effects of annealing on performances of 1.3-μm InAs-InGaAs-GaAs quantum dot electroabsorption modulators

PubMed Central

2013-01-01

In this work, we investigated the effects of quantum dot (QD) annealing (as-grown, 600°C-annealed, and 750°C-annealed) on the preliminary performances of 1.3-μm InAs-InGaAs-GaAs quantum dot electroabsorption modulators (QD-EAMs). Both extinction ratio and insertion loss were found to vary inversely with the annealing temperature. Most importantly, the 3-dB response of the 750°C-annealed lumped-element QD-EAM was found to be 1.6 GHz at zero reverse bias voltage - the lowest reverse bias voltage reported. We believe that this work will be beneficial to researchers working on on-chip integration of QD-EAMs with other devices since energy consumption will be an important consideration. PMID:23388169

Change of ocean circulation in the East Asian Marginal Seas under different climate conditions

NASA Astrophysics Data System (ADS)

Min, Hong Sik; Kim, Cheol-Ho; Kim, Young Ho

2010-05-01

Global climate models do not properly resolve an ocean environment in the East Asian Marginal Seas (EAMS), which is mainly due to a poor representation of the topography in continental shelf region and a coarse spatial resolution. To examine a possible change of ocean environment under global warming in the EAMS, therefore we used North Pacific Regional Ocean Model. The regional model was forced by atmospheric conditions extracted from the simulation results of the global climate models for the 21st century projected by the IPCC SRES A1B scenario as well as the 20th century. The North Pacific Regional Ocean model simulated a detailed pattern of temperature change in the EAMS showing locally different rising or falling trend under the future climate condition, while the global climate models simulated a simple pattern like an overall increase. Changes of circulation pattern in the EAMS such as an intrusion of warm water into the Yellow Sea as well as the Kuroshio were also well resolved. Annual variations in volume transports through the Taiwan Strait and the Korea Strait under the future condition were simulated to be different from those under present condition. Relative ratio of volume transport through the Soya Strait to the Tsugaru Strait also responded to the climate condition.

HvLUX1 is a candidate gene underlying the early maturity 10 locus in barley: phylogeny, diversity, and interactions with the circadian clock and photoperiodic pathways

PubMed Central

Campoli, Chiara; Pankin, Artem; Drosse, Benedikt; Casao, Cristina M; Davis, Seth J; von Korff, Maria

2013-01-01

Photoperiodic flowering is a major factor determining crop performance and is controlled by interactions between environmental signals and the circadian clock. We proposed Hvlux1, an ortholog of the Arabidopsis circadian gene LUX ARRHYTHMO, as a candidate underlying the early maturity 10 (eam10) locus in barley (Hordeum vulgare L.). The link between eam10 and Hvlux1 was discovered using high-throughput sequencing of enriched libraries and segregation analysis. We conducted functional, phylogenetic, and diversity studies of eam10 and HvLUX1 to understand the genetic control of photoperiod response in barley and to characterize the evolution of LUX-like genes within barley and across monocots and eudicots. We demonstrate that eam10 causes circadian defects and interacts with the photoperiod response gene Ppd-H1 to accelerate flowering under long and short days. The results of phylogenetic and diversity analyses indicate that HvLUX1 was under purifying selection, duplicated at the base of the grass clade, and diverged independently of LUX-like genes in other plant lineages. Taken together, these findings contribute to improved understanding of the barley circadian clock, its interaction with the photoperiod pathway, and evolution of circadian systems in barley and across monocots and eudicots. PMID:23731278

Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles.

PubMed

Wei, Yaochi; Chen, Shaohua

2015-12-01

The surface energy density of nano-sized elements exhibits a significantly size-dependent behavior. Spherical nanoparticle, as an important element in nano-devices and nano-composites, has attracted many interesting studies on size effect, most of which are molecular dynamics (MD) simulations. However, the existing MD calculations yield two opposite size-dependent trends of surface energy density of nanoparticles. In order to clarify such a real underlying problem, atomistic calculations are carried out in the present paper for various spherical face-centered-cubic (fcc) metallic nanoparticles. Both the embedded atom method (EAM) potential and the modified embedded atom method (MEAM) one are adopted. It is found that the size-dependent trend of surface energy density of nanoparticles is not governed by the chosen potential function or variation trend of surface energy, but by the defined radius of spherical nanoparticles in MD models. The finding in the present paper should be helpful for further theoretical studies on surface/interface effect of nanoparticles and nanoparticle-reinforced composites.

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

Srivastava, Ashish Kumar, E-mail: ashish.memech@gmail.com; Singh, Akhileshwar; Mokhalingam, A.

Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for themore » interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young’s modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young’s modulus of the Al matrix up to 77 % as compared to pure Al.« less

The effect of the order in which episodic autobiographical memories versus autobiographical knowledge are shared on feelings of closeness.

PubMed

Brandon, Nicole R; Beike, Denise R; Cole, Holly E

2017-07-01

Autobiographical memories (AMs) can be used to create and maintain closeness with others [Alea, N., & Bluck, S. (2003). Why are you telling me that? A conceptual model of the social function of autobiographical memory. Memory, 11(2), 165-178]. However, the differential effects of memory specificity are not well established. Two studies with 148 participants tested whether the order in which autobiographical knowledge (AK) and specific episodic AM (EAM) are shared affects feelings of closeness. Participants read two memories hypothetically shared by each of four strangers. The strangers first shared either AK or an EAM, and then shared either AK or an EAM. Participants were randomly assigned to read either positive or negative AMs from the strangers. Findings suggest that people feel closer to those who share positive AMs in the same way they construct memories: starting with general and moving to specific.

Generation of ultra-wide and flat optical frequency comb based on electro absorption modulator

NASA Astrophysics Data System (ADS)

Ujjwal; Thangaraj, Jaisingh

2018-05-01

A novel technique is proposed for the generation of ultra-wide and flat optical frequency comb (OFC) based on serially cascading three stages of electro absorption modulators (EAMs) through sinusoidal radio frequency (RF) signals by setting frequencies at f GHz, f/2 GHz and f/4 GHz. Here, the first stage acts as subcarrier generator, the second stage acts as subcarrier doubler, and the third stage acts as subcarrier quadrupler. In addition, a higher number of subcarriers can easily be generated by adjusting the driving sinusoidal RF signal. In this paper, cascading three stages of EAMs driven by 50 GHz, 25 GHz and 12.5 GHz clock sources, we obtain 272 subcarriers with spacing of 2.5 GHz and power deviation within 1 dB. Theoretical analysis of serially cascaded EAMs for subcarrier generation is also investigated. Principal analysis and simulation of this technique are demonstrated.

Selected area growth integrated wavelength converter based on PD-EAM optical logic gate

NASA Astrophysics Data System (ADS)

Bin, Niu; Jifang, Qiu; Daibing, Zhou; Can, Zhang; Song, Liang; Dan, Lu; Lingjuan, Zhao; Jian, Wu; Wei, Wang

2014-09-01

A selected area growth wavelength converter based on a PD-EAM optical logic gate for WDM application is presented, integrating an EML transmitter and a SOA-PD receiver. The design, fabrication, and DC characters were analyzed. A 2 Gb/s NRZ signal based on the C-band wavelength converted to 1555 nm with the highest extinction ratio of 7 dB was achieved and wavelength converted eye diagrams with eyes opened were presented.

Quantitative Analysis of Electro-Anatomical Maps: Application to an Experimental Model of Left Bundle Branch Block/Cardiac Resynchronization Therapy

PubMed Central

Duchateau, Nicolas; Kostantyn Butakov, Constantine Butakoff; Andreu, David; Fernández-Armenta, Juan; Bijnens, Bart; Berruezo, Antonio; Sitges, Marta; Camara, Oscar

2017-01-01

Electro-anatomical maps (EAMs) are commonly acquired in clinical routine for guiding ablation therapies. They provide voltage and activation time information on a 3-D anatomical mesh representation, making them useful for analyzing the electrical activation patterns in specific pathologies. However, the variability between the different acquisitions and anatomies hampers the comparison between different maps. This paper presents two contributions for the analysis of electrical patterns in EAM data from biventricular surfaces of cardiac chambers. The first contribution is an integrated automatic 2-D disk representation (2-D bull’s eye plot) of the left ventricle (LV) and right ventricle (RV) obtained with a quasi-conformal mapping from the 3-D EAM meshes, that allows an analysis of cardiac resynchronization therapy (CRT) lead positioning, interpretation of global (total activation time), and local indices (local activation time (LAT), surrogates of conduction velocity, inter-ventricular, and transmural delays) that characterize changes in the electrical activation pattern. The second contribution is a set of indices derived from the electrical activation: speed maps, computed from LAT values, to study the electrical wave propagation, and histograms of isochrones to analyze regional electrical heterogeneities in the ventricles. We have applied the proposed methods to look for the underlying physiological mechanisms of left bundle branch block (LBBB) and CRT, with the goal of optimizing the therapy by improving CRT response. To better illustrate the benefits of the proposed tools, we created a set of synthetically generated and fully controlled activation patterns, where the proposed representation and indices were validated. Then, the proposed analysis tools are used to analyze EAM data from an experimental swine model of induced LBBB with an implanted CRT device. We have analyzed and compared the electrical activation patterns at baseline, LBBB, and CRT stages in four animals: two without any structural disease and two with an induced infarction. By relating the CRT lead location with electrical dyssynchrony, we evaluated current hypotheses about lead placement in CRT and showed that optimal pacing sites should target the RV lead close to the apex and the LV one distant from it. PMID:29164019

Alteration in Memory and Electroencephalogram Waves with Sub-acute Noise Stress in Albino Rats and Safeguarded by Scoparia dulcis.

PubMed

Loganathan, Sundareswaran; Rathinasamy, Sheeladevi

2016-01-01

Noise stress has different effects on memory and novelty and the link between them with an electroencephalogram (EEG) has not yet been reported. To find the effect of sub-acute noise stress on the memory and novelty along with EEG and neurotransmitter changes. Eight-arm maze (EAM) and Y-maze to analyze the memory and novelty by novel object test. Four groups of rats were used: Control, control treated with Scoparia dulcis extract, noise exposed, and noise exposed which received Scoparia extract. The results showed no marked difference observed between control and control treated with Scoparia extract on EAM, Y-maze, novel object test, and EEG in both prefrontal and occipital region, however, noise stress exposed rats showed significant increase in the reference memory and working memory error in EAM and latency delay, triad errors in Y-maze, and prefrontal and occipital EEG frequency rate with the corresponding increase in plasma corticosterone and epinephrine, and significant reduction in the novelty test, and significant reduction in the novelty test, amplitude of prefrontal, occipital EEG, and acetylcholine. These noise stress induced changes in EAM, Y-maze, novel object test, and neurotransmitters were significantly prevented when treated with Scoparia extract and these changes may be due to the normalizing action of Scoparia extract on the brain, which altered due to noise stress. Noise stress exposure causes EEG, behavior, and neurotransmitter alteration in the frontoparietal and occipital regions mainly involved in planning and recognition memoryOnly the noise stress exposed animals showed the significant alteration in the EEG, behavior, and neurotransmittersHowever, these noise stress induced changes in EEG behavior and neurotransmitters were significantly prevented when treated with Scoparia extractThese changes may be due to the normalizing action of Scoparia dulcis (adoptogen) on the brain which altered by noise stress. Abbreviations used: EEG: Electroencephalogram, dB: Decibel, EPI: Epinephrine, ACH: Acetylcholine, EAM: Eight-arm maze.

Ten-channel InP-based large-scale photonic integrated transmitter fabricated by SAG technology

NASA Astrophysics Data System (ADS)

Zhang, Can; Zhu, Hongliang; Liang, Song; Cui, Xiao; Wang, Huitao; Zhao, Lingjuan; Wang, Wei

2014-12-01

A 10-channel InP-based large-scale photonic integrated transmitter was fabricated by selective area growth (SAG) technology combined with butt-joint regrowth (BJR) technology. The SAG technology was utilized to fabricate the electroabsorption modulated distributed feedback (DFB) laser (EML) arrays at the same time. The design of coplanar electrodes for electroabsorption modulator (EAM) was used for the flip-chip bonding package. The lasing wavelength of DFB laser could be tuned by the integrated micro-heater to match the ITU grids, which only needs one electrode pad. The average output power of each channel is 250 μW with an injection current of 200 mA. The static extinction ratios of the EAMs for 10 channels tested are ranged from 15 to 27 dB with a reverse bias of 6 V. The frequencies of 3 dB bandwidth of the chip for each channel are around 14 GHz. The novel design and simple fabrication process show its enormous potential in reducing the cost of large-scale photonic integrated circuit (LS-PIC) transmitter with high chip yields.

Data Systems Task Analysis.

DTIC Science & Technology

1979-08-01

WHAT YOU DO IN YOUR PRESENT JOB. IdiS IS hQ A E&T. NEITHER YCU, YOUR CCMMANDER, NOR YOUR UNIT WILL BE EVALUATED , IN ANY WAY, CN THE INFORMATICN YCU...ACCOLNTING MACHINE (PCAM) OPERATOR 336. EAM/PCAM SUPERVISOR 231. EAM/PCAM WIRING TECI-NICIAN )38. EQUIPMENT MANAGEMENT TECFNICIAN 339. EVALUATION AND...R RAMO .4 12. BUNKER RAMC 13) 13. BUNKER RAMO 2)) 14. aJNKER RAMU 1563 15. BUhROdGHS 263 16. BuRROUGHS B d)) 17. BURROUGHS b35 .J 18. BjRROUGHS 847

Analysis of digital images into energy-angular momentum modes.

PubMed

Vicent, Luis Edgar; Wolf, Kurt Bernardo

2011-05-01

The measurement of continuous wave fields by a digital (pixellated) screen of sensors can be used to assess the quality of a beam by finding its formant modes. A generic continuous field F(x, y) sampled at an N × N Cartesian grid of point sensors on a plane yields a matrix of values F(q(x), q(y)), where (q(x), q(y)) are integer coordinates. When the approximate rotational symmetry of the input field is important, one may use the sampled Laguerre-Gauss functions, with radial and angular modes (n, m), to analyze them into their corresponding coefficients F(n, m) of energy and angular momentum (E-AM). The sampled E-AM modes span an N²-dimensional space, but are not orthogonal--except for parity. In this paper, we propose the properly orthonormal "Laguerre-Kravchuk" discrete functions Λ(n, m)(q(x), q(y)) as a convenient basis to analyze the sampled beams into their E-AM polar modes, and with them synthesize the input image exactly.

Impact of GFZ's Effective Angular Momentum Forecasts on Polar Motion Prediction

NASA Astrophysics Data System (ADS)

Dill, Robert; Dobslaw, Henryk

2017-04-01

The Earth System Modelling group at GeoForschungsZentrum (GFZ) Potsdam offers now 6-day forecasts of Earth rotation excitation due to atmospheric, oceanic, and hydrologic angular momentum changes that are consistent with its 40 years-long EAM series. Those EAM forecasts are characterized by an improved long-term consistency due to the introduction of a time-invariant high-resolution reference topography into the AAM processing that accounts for occasional NWP model changes. In addition, all tidal signals from both atmosphere and ocean have been separated, and the temporal resolution of both AAM and OAM has been increased to 3 hours. Analysis of an extended set of EAM short-term hindcasts revealed positive prediction skills for up to 6 days into the future when compared to a persistent forecast. Whereas UT1 predictions in particular rely on an accurate AAM forecast, skillfull polar motion prediction requires high-quality OAM forecasts as well. We will present in this contribution the results from a multi-year hindcast experiment, demonstrating that the polar motion prediction as currently available from Bulletin A can be improved in particular for lead-times between 2 and 5 days by incorporating OAM forecasts. We will also report about early results obtained at Observatoire de Paris to predict polar motion from the integration of GFZ's 6-day EAM forecasts into the Liouville equation in a routine setting, that fully takes into account the operational latencies of all required input products.

Phase transitions and kinetic properties of gold nanoparticles confined between two-layer graphene nanosheets

NASA Astrophysics Data System (ADS)

Wang, Gang; Wu, Nanhua; Chen, Jionghua; Wang, Jinjian; Shao, Jingling; Zhu, Xiaolei; Lu, Xiaohua; Guo, Lucun

2016-11-01

The thermodynamic and kinetic behaviors of gold nanoparticles confined between two-layer graphene nanosheets (two-layer-GNSs) are examined and investigated during heating and cooling processes via molecular dynamics (MD) simulation technique. An EAM potential is applied to represent the gold-gold interactions while a Lennard-Jones (L-J) potential is used to describe the gold-GNS interactions. The MD melting temperature of 1345 K for bulk gold is close to the experimental value (1337 K), confirming that the EAM potential used to describe gold-gold interactions is reliable. On the other hand, the melting temperatures of gold clusters supported on graphite bilayer are corrected to the corresponding experimental values by adjusting the εAu-C value. Therefore, the subsequent results from current work are reliable. The gold nanoparticles confined within two-layer GNSs exhibit face center cubic structures, which is similar to those of free gold clusters and bulk gold. The melting points, heats of fusion, and heat capacities of the confined gold nanoparticles are predicted based on the plots of total energies against temperature. The density distribution perpendicular to GNS suggests that the freezing of confined gold nanoparticles starts from outermost layers. The confined gold clusters exhibit layering phenomenon even in liquid state. The transition of order-disorder in each layer is an essential characteristic in structure for the freezing phase transition of the confined gold clusters. Additionally, some vital kinetic data are obtained in terms of classical nucleation theory.

Defect structures induced by high-energy displacement cascades in γ uranium

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

Miao, Yinbin; Beeler, Benjamin; Deo, Chaitanya

Displacement cascade simulations were conducted for the c uranium system based on molecular dynamics. A recently developed modified embedded atom method (MEAM) potential was employed to replicate the atomic interactions while an embedded atom method (EAM) potential was adopted to help characterize the defect structures induced by the displacement cascades. The atomic displacement process was studied by providing primary knock-on atoms (PKAs) with kinetic energies from 1 keV to 50 keV. The influence of the PKA incident direction was examined. The defect structures were analyzed after the systems were fully relaxed. The states of the self-interstitial atoms (SIAs) were categorizedmore » into various types of dumbbells, the crowdion, and the octahedral interstitial. The voids were determined to have a polyhedral shape with {110} facets. The size distribution of the voids was also obtained. The results of this study not only expand the knowledge of the microstructural evolution in irradiated c uranium, but also provide valuable references for the radiation-induced defects in uranium alloy fuels.« less

Molecular dynamics study of mechanical properties of carbon nanotube reinforced aluminum composites

NASA Astrophysics Data System (ADS)

Srivastava, Ashish Kumar; Mokhalingam, A.; Singh, Akhileshwar; Kumar, Dinesh

2016-05-01

Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for the interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young's modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young's modulus of the Al matrix up to 77 % as compared to pure Al.

Multibillion-atom Molecular Dynamics Simulations of Plasticity, Spall, and Ejecta

NASA Astrophysics Data System (ADS)

Germann, Timothy C.

2007-06-01

Modern supercomputing platforms, such as the IBM BlueGene/L at Lawrence Livermore National Laboratory and the Roadrunner hybrid supercomputer being built at Los Alamos National Laboratory, are enabling large-scale classical molecular dynamics simulations of phenomena that were unthinkable just a few years ago. Using either the embedded atom method (EAM) description of simple (close-packed) metals, or modified EAM (MEAM) models of more complex solids and alloys with mixed covalent and metallic character, simulations containing billions to trillions of atoms are now practical, reaching volumes in excess of a cubic micron. In order to obtain any new physical insights, however, it is equally important that the analysis of such systems be tractable. This is in fact possible, in large part due to our highly efficient parallel visualization code, which enables the rendering of atomic spheres, Eulerian cells, and other geometric objects in a matter of minutes, even for tens of thousands of processors and billions of atoms. After briefly describing the BlueGene/L and Roadrunner architectures, and the code optimization strategies that were employed, results obtained thus far on BlueGene/L will be reviewed, including: (1) shock compression and release of a defective EAM Cu sample, illustrating the plastic deformation accompanying void collapse as well as the subsequent void growth and linkup upon release; (2) solid-solid martensitic phase transition in shock-compressed MEAM Ga; and (3) Rayleigh-Taylor fluid instability modeled using large-scale direct simulation Monte Carlo (DSMC) simulations. I will also describe our initial experiences utilizing Cell Broadband Engine processors (developed for the Sony PlayStation 3), and planned simulation studies of ejecta and spall failure in polycrystalline metals that will be carried out when the full Petaflop Opteron/Cell Roadrunner supercomputer is assembled in mid-2008.

First In Vivo Use of a Capacitive Micromachined Ultrasound Transducer Array–Based Imaging and Ablation Catheter

PubMed Central

Stephens, Douglas N.; Truong, Uyen T.; Nikoozadeh, Amin; Oralkan, Ömer; Seo, Chi Hyung; Cannata, Jonathan; Dentinger, Aaron; Thomenius, Kai; de la Rama, Alan; Nguyen, Tho; Lin, Feng; Khuri-Yakub, Pierre; Mahajan, Aman; Shivkumar, Kalyanam; O’Donnell, Matt; Sahn, David J.

2012-01-01

Objectives The primary objective was to test in vivo for the first time the general operation of a new multifunctional intracardiac echocardiography (ICE) catheter constructed with a microlinear capacitive micromachined ultrasound transducer (ML-CMUT) imaging array. Secondarily, we examined the compatibility of this catheter with electroanatomic mapping (EAM) guidance and also as a radiofrequency ablation (RFA) catheter. Preliminary thermal strain imaging (TSI)-derived temperature data were obtained from within the endocardium simultaneously during RFA to show the feasibility of direct ablation guidance procedures. Methods The new 9F forward-looking ICE catheter was constructed with 3 complementary technologies: a CMUT imaging array with a custom electronic array buffer, catheter surface electrodes for EAM guidance, and a special ablation tip, that permits simultaneous TSI and RFA. In vivo imaging studies of 5 anesthetized porcine models with 5 CMUT catheters were performed. Results The ML-CMUT ICE catheter provided high-resolution real-time wideband 2-dimensional (2D) images at greater than 8 MHz and is capable of both RFA and EAM guidance. Although the 24-element array aperture dimension is only 1.5 mm, the imaging depth of penetration is greater than 30 mm. The specially designed ultrasound-compatible metalized plastic tip allowed simultaneous imaging during ablation and direct acquisition of TSI data for tissue ablation temperatures. Postprocessing analysis showed a first-order correlation between TSI and temperature, permitting early development temperature-time relationships at specific myocardial ablation sites. Conclusions Multifunctional forward-looking ML-CMUT ICE catheters, with simultaneous intracardiac guidance, ultrasound imaging, and RFA, may offer a new means to improve interventional ablation procedures. PMID:22298868

Testing Activity Monitors’ Effect on Health: Study Protocol for a Randomized Controlled Trial Among Older Primary Care Patients

PubMed Central

Ottenbacher, Kenneth J; Fisher, Steve R; Jennings, Kristofer; Brown, Arleen F; Swartz, Maria C; Lyons, Elizabeth J

2016-01-01

Background Cardiovascular disease is the leading cause of mortality in the United States. Maintaining healthy levels of physical activity is critical to cardiovascular health, but many older adults are inactive. There is a growing body of evidence linking low motivation and inactivity. Standard behavioral counseling techniques used within the primary care setting strive to increase motivation, but often do not emphasize the key component of self-control. The addition of electronic activity monitors (EAMs) to counseling protocols may provide more effective behavior change and increase overall motivation for exercise through interactive self-monitoring, feedback, and social support from other users. Objective The objective of the study is to conduct a three month intervention trial that will test the feasibility of adding an EAM system to brief counseling within a primary care setting. Participants (n=40) will be randomized to receive evidence-based brief counseling plus either an EAM or a pedometer. Methods Throughout the intervention, we will test its feasibility and acceptability, the change in primary outcomes (cardiovascular risk and physical activity), and the change in secondary outcomes (adherence, weight and body composition, health status, motivation, physical function, psychological feelings, and self-regulation). Upon completion of the intervention, we will also conduct focus groups with the participants and with primary care stakeholders. Results The study started recruitment in October 2015 and is scheduled to be completed by October 2016. Conclusions This project will lay the groundwork and establish the infrastructure for intervention refinement and ultimately translation within the primary care setting in order to prevent cardiovascular disease on a population level. Trial Registration ClinicalTrails.gov NCT02554435; https://clinicaltrials.gov/ct2/show/NCT02554435 (Archived by WebCite at http://www.webcitation/6fUlW5tdT) PMID:27129602

The influence of climate regime shifts on the marine environment and ecosystems in the East Asian Marginal Seas and their mechanisms

NASA Astrophysics Data System (ADS)

Kun Jung, Hae; Rahman, SM Mustafizur; Kang, Chang-Keun; Park, Se-Young; Heon Lee, Sang; Je Park, Hyun; Kim, Hyun-Woo; Il Lee, Chung

2017-09-01

Step changes to seawater temperature (SWT) in the East Asian marginal seas (EAMS) are associated with three recent climate regime shifts (CRS) occurring in the mid-1970s, late 1980s, and late 1990s, but the responses of the ocean conditions and marine ecosystems had regional differences. A step change in SWT in the East China Sea (ECS) was detected after the CRS of the 1970s as were step changes in the North Pacific Index (NPI), Pacific Decadal Oscillation Index (PDOI), and East Asian Winter Monsoon Index (EAWMI). SWT in the ECS decreased with decreasing warm water volume transport into the EAMS and a strong monsoon, but step changes in SWT in other regions were not detected as clearly. After the CRS of the 1980s, SWT in all EAMS increased rapidly with step changes detected in all five climate indices examined. These changes were associated with a weak winter monsoon, increasing surface air temperature (SAT), and increasing warm water volume transport into the EAMS. However, after the CRS of the 1990s, a decrease in SWT around the EAMS was detected in the northern part of East China Sea (NECS), and the ECS with step changes also in the EAWMI and the Arctic Oscillation Index (AOI). In contrast, SWT in the East Sea/Sea of Japan (EJS) and the Yellow Sea (YS) continuously increased during this time. Long-term changes in zooplankton biomass were affected by regional differences in the responses of atmospheric and oceanic variability to CRSs. Specifically, long-term changes in the timing of peaks in zooplankton abundances exhibited differences. During warm periods (e.g. after the 1980s CRS) in the EJS, the amount of zooplankton biomass in October increased, while in February it decreased. On the contrary, in the YS and the NECS, the peaks of October and June in zooplankton biomass occurred during cold periods (after the 1970s and 1990s CRS). Major fisheries resources also responded to the three CRSs, although warm and cold water species responded differently to changes in oceanographic conditions in regional spawning grounds.

The neuropeptide cortistatin attenuates experimental autoimmune myocarditis via inhibition of cardiomyogenic T cell‐driven inflammatory responses

PubMed Central

Delgado‐Maroto, Virginia; Falo, Clara P; Forte‐Lago, Irene; Adan, Norma; Morell, Maria; Maganto‐Garcia, Elena; Robledo, Gema; O'Valle, Francisco; Lichtman, Andrew H; Gonzalez‐Rey, Elena

2017-01-01

Background and purpose Myocarditis is an inflammatory and autoimmune cardiovascular disease that causes dilated myocardiopathy and is responsible for high morbidity and mortality worldwide. Cortistatin is a neuropeptide produced by neurons and cells of the immune and vascular systems. Besides its action in locomotor activity and sleep, cortistatin inhibits inflammation in different experimental models of autoimmune diseases. However, its role in inflammatory cardiovascular disorders is unexplored. Here, we investigated the therapeutic effects of cortistatin in a well‐established preclinical model of experimental autoimmune myocarditis (EAM). Experimental Approach We induced EAM by immunization with a fragment of cardiac myosin in susceptible Balb/c mice. Cortistatin was administered i.p. starting 7, 11 or 15 days after EAM induction. At day 21, we evaluated heart hypertrophy, myocardial injury, cardiac inflammatory infiltration and levels of serum and cardiac inflammatory cytokines, cortistatin and autoantibodies. We determined proliferation and cytokine production by heart draining lymph node cells in response to cardiac myosin restimulation. Key Results Systemic injection of cortistatin during the effector phase of the disease significantly reduced its prevalence and signs of heart hypertrophy and injury (decreased the levels of brain natriuretic peptide) and impaired myocardial inflammatory cell infiltration. This effect was accompanied by a reduction in self‐antigen‐specific T‐cell responses in lymph nodes and in the levels of cardiomyogenic antibodies and inflammatory cytokines in serum and myocardium. Finally, we found a positive correlation between cardiac and systemic cortistatin levels and EAM severity. Conclusions and Implications Cortistatin emerges as a new candidate to treat inflammatory dilated cardiomyopathy. PMID:27922195

Gbit/s-operation of graphene electro-absorption modulators in a passive polymer waveguide platform for data and telecommunications

NASA Astrophysics Data System (ADS)

Kleinert, M.; Reinke, P.; Bach, H.-G.; Brinker, W.; Zawadzki, C.; Dietrich, A.; de Felipe, D.; Keil, N.; Schell, M.

2017-02-01

Graphene with its high carrier mobility as well as its tunable light absorption is an attractive active material for highspeed electro-absorption modulators (EAMs). Large-area CVD-grown graphene monolayers can be transferred onto arbitrary substrates to add active optoelectronic properties to intrinsically passive photonic integration platforms. In this work, we present graphene-based EAMs integrated in passive polymer waveguides. To facilitate modulation frequencies in the GHz range, a 50 Ω termination resistor as well as a DC blocking capacitor are integrated with graphene EAMs for the first time. Large signal data transmission experiments were carried out across the O, C and L optical communications bands. The fastest devices exhibit a 3-dB bandwidth of more than 4 GHz. Our analytical model of the modulation response for the graphene-based EAMs is in good agreement with the measurement results. It predicts that bandwidths greater than 50 GHz are possible with future device iterations. Owing to the absorption properties of the graphene layers, the devices are expected to be functional at smaller wavelengths of interest for optical interconnects and data-communications as well, offering a novel flexibility for the integration of high-speed functionalities in optoelectronic integrated circuits. Our work is the first step towards an Active Optical Printed Circuit Board, hiding the optics completely inside the board and thus removing entry barriers in manufacturing. We believe this will lead to the same success as observed in Active Optical Cables for short range optically wired connections.

Evaluation of a high-resolution patient-specific model of the electrically stimulated cochlea

NASA Astrophysics Data System (ADS)

Cakir, Ahmet; Dwyer, Robert T.; Noble, Jack H.

2017-03-01

Cochlear implants (CIs) are considered standard treatment for patients who experience sensorineural hearing loss. Although these devices have been remarkably successful at restoring hearing, it is rare to achieve natural fidelity, and many patients experience poor outcomes. Our group has developed the first image-guided CI programming (IGCIP) technique where the positions of the electrodes are found in CT images and used to estimate neural activation patterns, which is unique information that audiologists can use to define patient-specific processor settings. In our current system, neural activation is estimated using only the distance from each electrode to the neural activation sites. This approach might be less accurate than using a high-resolution electro-anatomical model (EAM) of the electrically stimulated cochlea to perform physics-based estimation of neural activation. In this work, we propose a patientcustomized EAM approach where the EAM is spatially and electrically adapted to a patient-specific configuration. Spatial adaptation is done through non-rigid registration of the model with the patient CT image. Electrical adaptation is done by adjusting tissue resistivity parameters so that the intra-cochlear voltage distributions predicted by the model best match those directly measured for the patient via their implant. We demonstrated our approach for N=7 patients. We found that our approach results in mean percent differences between direct and simulated measurements of voltage distributions of 11%. In addition, visual comparison shows the simulated and measured voltage distributions are qualitatively in good agreement. This represents a crucial step toward developing and validating the first in vivo patient-specific cochlea EAMs.

EXOS research on force-reflecting controllers

NASA Astrophysics Data System (ADS)

Eberman, Brian S.; An, Bin

1993-03-01

EXOS has developed two state of the art prototype master controllers for controlling robot hands and manipulators under the Small Business Innovation Research (SBIR) program with NASA. One such device is a two degree-of-freedom Sensing and Force Reflecting Exoskeleton (SAFiRE) worn on the operator's hand. The device measures the movement of the index finger and reflects the interaction forces between the slave robot and the environment to the human finger. The second device is a position sensing Exoskeleton ArmMaster (EAM) worn by a human operator. The device simultaneously tracks the motions of the operator's three DOF shoulder and two DOF elbow. Both of these devices are currently used to control robots at NASA. We are currently developing a full fingered SAFiRE and a position sensing and force reflecting EAM under two second phase SBIR grants with NASA. This paper will include discussions of: (1) the design of the current prototypes, (2) kinematics of the EAM and force control of the SAFiRE, (3) design issues that must be addressed in developing more advanced versions, and (4) our progress to date in addressing these issues.

Pressure effect on phonon frequencies in some transition metals: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Kazanc, S.; Ozgen, S.

2005-08-01

It is important to determine the atomic lattice vibrations of metallic materials, under high-pressure conditions, due to its effects on material properties such as thermal, electrical and optical conductions. In this work, we have investigated the changes of acoustic phonon frequencies with hydrostatic pressure for Cu, Ni, Al, Ag and Au transition metals, using molecular dynamics (MD) simulations based on embedded atom method (EAM). For this aim, we have adopted the embedded atom potential proposed by Sutton and Chen. The phonon frequencies have been calculated from the dynamical matrix for [1 0 0], [1 1 0] and [1 1 1] high symmetry directions of the Brillouin zone. The obtained results show that the hydrostatic pressure causes an increment in phonon frequencies, and this rising do not depend linearly on the increasing pressure.

The application of an atomistic J-integral to a ductile crack.

PubMed

Zimmerman, Jonathan A; Jones, Reese E

2013-04-17

In this work we apply a Lagrangian kernel-based estimator of continuum fields to atomic data to estimate the J-integral for the emission dislocations from a crack tip. Face-centered cubic (fcc) gold and body-centered cubic (bcc) iron modeled with embedded atom method (EAM) potentials are used as example systems. The results of a single crack with a K-loading compare well to an analytical solution from anisotropic linear elastic fracture mechanics. We also discovered that in the post-emission of dislocations from the crack tip there is a loop size-dependent contribution to the J-integral. For a system with a finite width crack loaded in simple tension, the finite size effects for the systems that were feasible to compute prevented precise agreement with theory. However, our results indicate that there is a trend towards convergence.

Matrix Extension and Multilaboratory Validation of Arsenic Speciation Method EAM §4.10 to Include Wine.

PubMed

Tanabe, Courtney K; Hopfer, Helene; Ebeler, Susan E; Nelson, Jenny; Conklin, Sean D; Kubachka, Kevin M; Wilson, Robert A

2017-05-24

A multilaboratory validation (MLV) was performed to extend the U.S. Food and Drug Administration's (FDA) analytical method Elemental Analysis Manual (EAM) §4.10, High Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometric Determination of Four Arsenic Species in Fruit Juice, to include wine. Several method modifications were examined to optimize the method for the analysis of dimethylarsinic acid, monomethylarsonic acid, arsenate (AsV), and arsenite (AsIII) in various wine matrices with a range of ethanol concentrations by liquid chromatography-inductively coupled plasma-mass spectrometry. The optimized method was used for the analysis of five wines of different classifications (red, white, sparkling, rosé, and fortified) by three laboratories. Additionally, the samples were fortified in duplicate at levels of approximately 5, 10, and 30 μg kg -1 and analyzed by each participating laboratory. The combined average fortification recoveries of dimethylarsinic acid, monomethylarsonic acid, and inorganic arsenic (iAs the sum of AsV and AsIII) in these samples were 101, 100, and 100%, respectively. To further demonstrate the method, 46 additional wine samples were analyzed. The total As levels of all the wines analyzed in this study were between 1.0 and 38.2 μg kg -1 . The overall average mass balance based on the sum of the species recovered from the chromatographic separation compared to the total As measured was 89% with a range of 51-135%. In the 51 analyzed samples, iAs accounted for an average of 91% of the sum of the species with a range of 37-100%.

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

Zhu, Bo; Zhao, Hongwei, E-mail: hwzhao@jlu.edu.cn, E-mail: khl69@163.com; Zhao, Dan

It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM), especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD) model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulationmore » is Embedded-Atom Method (EAM) potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.« less

Atomistic Modeling of Diffusion and Phase Transformations in Metals and Alloys

NASA Astrophysics Data System (ADS)

Purja Pun, Ganga Prasad

Dissertation consists of multiple works. The first part is devoted to self-diffusion along dislocation cores in aluminum followed by the development of embedded atom method potentials for Co, NiAl, CoAl and CoNi systems. The last part focuses on martensitic phase transformation (MPT) in Ni xAl1--x and Al xCoyNi1-- x--y alloys. New calculation methods were developed to predict diffusion coefficients in metal as functions of temperature. Self-diffusion along screw and edge dislocations in aluminum was studied by molecular dynamic (MD) simulations. Three types of simulations were performed with and without (intrinsic) pre-existing vacancies and interstitials in the dislocation core. We found that the diffusion along the screw dislocation was dominated by the intrinsic mechanism, whereas the diffusion along the edge dislocation was dominated by the vacancy mechanism. The diffusion along the screw dislocation was found to be significantly faster than the diffusion along the edge dislocation, and the both diffusivities were in reasonable agreement with experimental data. The intrinsic diffusion mechanism can be associated with the formation of dynamic Frenkel pairs, possibly activated by thermal jogs and/or kinks. The simulations show that at high temperatures the dislocation core becomes an effective source/sink of point defects and the effect of pre-existing defects on the core diffusivity diminishes. First and the foremost ingredient needed in all atomistic computer simulations is the description of interaction between atoms. Interatomic potentials for Co, NiAl, CoAl and CoNi systems were developed within the Embedded Atom Method (EAM) formalism. The binary potentials were based on previously developed accurate potentials for pure Ni and pure Al and pure Co developed in this work. The binaries constitute a version of EAM potential of AlCoNi ternary system. The NiAl potential accurately reproduces a variety of physical properties of the B2-NiAl and L12--Ni3Al phases. The potential is expected to be especially suitable for simulations of hetero-phase interfaces and mechanical behavior of NiAl alloys. Apart from properties of the HCP Co, the new Co potential is accurate enough to reproduce several properties of the FCC Co which were not included in the potential fit. It shows good transferability property. The CoAl potential was fitted to the properties of B2-CoAl phase as in the NiAl fitting where as the NiCo potential was fitted to the ab initio formation energies of some imaginary phases and structures. Effect of chemical composition and uniaxial mechanical stresses was studied on the martensitic phase transformation in B2 type Ni-rich NiAl and AlCoNi alloys. The martensitic phase has a tetragonal crystal structure and can contain multiple twins arranged in domains and plates. The twinned martensites were always formed under the uniaxial compression where as the single variant martensites were the results of the uniaxial tension. The transformation was reversible and characterized by a significant temperature hysteresis. The magnitude of the hysteresis depends on the chemical composition and stress.

Sex Differences in the Neural Correlates of Specific and General Autobiographical Memory

PubMed Central

Compère, Laurie; Sperduti, Marco; Gallarda, Thierry; Anssens, Adèle; Lion, Stéphanie; Delhommeau, Marion; Martinelli, Pénélope; Devauchelle, Anne-Dominique; Oppenheim, Catherine; Piolino, Pascale

2016-01-01

Autobiographical memory (AM) underlies the formation and temporal continuity over time of personal identity. The few studies on sex-related differences in AM suggest that men and women adopt different cognitive or emotional strategies when retrieving AMs. However, none of the previous works has taken into account the distinction between episodic autobiographical memory (EAM), consisting in the retrieval of specific events by means of mental time travel, and semantic autobiographical memory (SAM), which stores general personal events. Thus, it remains unclear whether differences in these strategies depend on the nature of the memory content to be retrieved. In the present study we employed functional MRI to examine brain activity underlying potential sex differences in EAM and SAM retrieval focusing on the differences in strategies related to the emotional aspects of memories while controlling for basic cognitive strategies. On the behavioral level, there was no significant sex difference in memory performances or subjective feature ratings of either type of AM. Activations common to men and women during AM retrieval were observed in a typical bilateral network comprising medial and lateral temporal regions, precuneus, occipital cortex as well as prefrontal cortex. Contrast analyses revealed that there was no difference between men and women in the EAM condition. In the SAM condition, women showed an increased activity, compared to men, in the dorsal anterior cingulate cortex, inferior parietal and precentral gyrus. Overall, these findings suggest that differential neural activations reflect sex-specific strategies related to emotional aspects of AMs, particularly regarding SAM. We propose that this pattern of activation during SAM retrieval reflects the cognitive cost linked to emotion regulation strategies recruited by women compared to men. These sex-related differences have interesting implications for understanding psychiatric disorders with differential sex prevalence and in which one of key features is overgenerality in AM. PMID:27378884

Demonstration of an 8*10-Gb/s OTDM system

NASA Astrophysics Data System (ADS)

Huo, Li; Yang, Yanfu; Lou, Caiyun; Gao, Yizhi

2005-03-01

An 8*10 Gb/s optical time-division-multiplexing (OTDM) system was demonstrated with an electroabsorption modulator (EAM) based short pulse generator followed by a two-stage nonlinear compression scheme which generated stable 10-GHz, 2-ps full-width at half-maximum (FWHM) pulse train, an opto-electronic oscillator (OEO) that extracted 10-GHz clock with a timing jitter of 300 fs from 80-Gb/s OTDM signal and a self cascaded EAM which produced a switching window of about 10 ps. A back-to-back error free demultiplexing experiment with a power penalty of 3.25 dB was carried out to verify the system performance.

Rapid production of hollow SS316 profiles by extrusion based additive manufacturing

NASA Astrophysics Data System (ADS)

Rane, Kedarnath; Cataldo, Salvatore; Parenti, Paolo; Sbaglia, Luca; Mussi, Valerio; Annoni, Massimiliano; Giberti, Hermes; Strano, Matteo

2018-05-01

Complex shaped stainless steel tubes are often required for special purpose biomedical equipment. Nevertheless, traditional manufacturing technologies, such as extrusion, lack the ability to compete in a market of customized complex components because of associated expenses towards tooling and extrusion presses. To rapid manufacture few of such components with low cost and high precision, a new Extrusion based Additive Manufacturing (EAM) process, is proposed in this paper, and as an example, short stainless steel 316L complex shaped and sectioned tubes were prepared by EAM. Several sample parts were produced using this process; the dimensional stability, surface roughness and chemical composition of sintered samples were investigated to prove process competence. The results indicate that feedstock with a 316L particle content of 92.5 wt. % can be prepared with a sigma blade mixing, whose rheological behavior is fit for EAM. The green samples have sufficient strength to handle them for subsequent treatments. The sintered samples considerably shrunk to designed dimensions and have a homogeneous microstructure to impart mechanical strength. Whereas, maintaining comparable dimensional accuracy and chemical composition which are required for biomedical equipment still need iterations, a kinematic correction and modification in debinding cycle was proposed.

Navigation for fluoroscopy-guided cryo-balloon ablation procedures of atrial fibrillation

NASA Astrophysics Data System (ADS)

Bourier, Felix; Brost, Alexander; Kleinoeder, Andreas; Kurzendorfer, Tanja; Koch, Martin; Kiraly, Attila; Schneider, Hans-Juergen; Hornegger, Joachim; Strobel, Norbert; Kurzidim, Klaus

2012-02-01

Atrial fibrillation (AFib), the most common arrhythmia, has been identified as a major cause of stroke. The current standard in interventional treatment of AFib is the pulmonary vein isolation (PVI). PVI is guided by fluoroscopy or non-fluoroscopic electro-anatomic mapping systems (EAMS). Either classic point-to-point radio-frequency (RF)- catheter ablation or so-called single-shot-devices like cryo-balloons are used to achieve electrically isolation of the pulmonary veins and the left atrium (LA). Fluoroscopy-based systems render overlay images from pre-operative 3-D data sets which are then merged with fluoroscopic imaging, thereby adding detailed 3-D information to conventional fluoroscopy. EAMS provide tracking and visualization of RF catheters by means of electro-magnetic tracking. Unfortunately, current navigation systems, fluoroscopy-based or EAMS, do not provide tools to localize and visualize single shot devices like cryo-balloon catheters in 3-D. We present a prototype software for fluoroscopy-guided ablation procedures that is capable of superimposing 3-D datasets as well as reconstructing cyro-balloon catheters in 3-D. The 3-D cyro-balloon reconstruction was evaluated on 9 clinical data sets, yielded a reprojected 2-D error of 1.72 mm +/- 1.02 mm.

Modeling of crack growth under mixed-mode loading by a molecular dynamics method and a linear fracture mechanics approach

NASA Astrophysics Data System (ADS)

Stepanova, L. V.

2017-12-01

Atomistic simulations of the central crack growth process in an infinite plane medium under mixed-mode loading using Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), a classical molecular dynamics code, are performed. The inter-atomic potential used in this investigation is the Embedded Atom Method (EAM) potential. Plane specimens with an initial central crack are subjected to mixed-mode loadings. The simulation cell contains 400,000 atoms. The crack propagation direction angles under different values of the mixity parameter in a wide range of values from pure tensile loading to pure shear loading in a wide range of temperatures (from 0.1 K to 800 K) are obtained and analyzed. It is shown that the crack propagation direction angles obtained by molecular dynamics coincide with the crack propagation direction angles given by the multi-parameter fracture criteria based on the strain energy density and the multi-parameter description of the crack-tip fields. The multi-parameter fracture criteria are based on the multi-parameter stress field description taking into account the higher order terms of the Williams series expansion of the crack tip fields.

Molecular-dynamic study of the influence of temperature on the process of metallic nanocrystals fracture

NASA Astrophysics Data System (ADS)

Demianenko, A. M.; Golovnev, I. F.; Golovneva, E. I.

2017-10-01

The behavior of the fracture processes of a metal nanostructure under deformation in the temperature range 0-550 K was investigated by the molecular dynamics method. An ideal copper crystal was used as a sample in the form of a rectangular parallelepiped with the number of crystalline cells nx = 50, ny = nz = 5 along the corresponding axes. The deformation was carried out by uniaxial stretching of the sample between two clamps (movable and fixed) with a constant speed. The stretching rate varied from 50 to 500 m/s. To describe the interatomic interaction, the Voter many-body EAM potential was used. The effect of temperature on macro characteristics of fracture (the fracture place, the number of fragments formed, the stress on the clamps), and also on the kinetic characteristics (fracture rate, time of formation of maximum stress values on the clamps, mass transfer phenomena and formation of the fracture neck) were revealed.

What is the copper thin film thickness effect on thermal properties of NiTi/Cu bi-layer?

NASA Astrophysics Data System (ADS)

Fazeli, Sara; Vahedpour, Morteza; Khatiboleslam Sadrnezhaad, Sayed

2017-02-01

Molecular dynamics (MD) simulation was used to study of thermal properties of NiTi/Cu. Embedded atom method (EAM) potentials for describing of inter-atomic interaction and Nose-Hoover thermostat and barostat are employed. The melting of the bi-layers was considered by studying the temperature dependence of the cohesive energy and mean square displacement. To highlight the differences between bi-layers with various copper layer thickness, the effect of copper film thickness on thermal properties containing the cohesive energy, melting point, isobaric heat capacity and latent heat of fusion was estimated. The results show that thermal properties of bi-layer systems are higher than that of their corresponding of pure NiTi. But, these properties of bi-layer systems approximately are independent of copper film thicknesses. The mean square displacement (MSD) results show that, the diffusion coefficients enhance upon increasing of copper film thickness in a linear performance.

Mathematical modeling of the crack growth in linear elastic isotropic materials by conventional fracture mechanics approaches and by molecular dynamics method: crack propagation direction angle under mixed mode loading

NASA Astrophysics Data System (ADS)

Stepanova, Larisa; Bronnikov, Sergej

2018-03-01

The crack growth directional angles in the isotropic linear elastic plane with the central crack under mixed-mode loading conditions for the full range of the mixity parameter are found. Two fracture criteria of traditional linear fracture mechanics (maximum tangential stress and minimum strain energy density criteria) are used. Atomistic simulations of the central crack growth process in an infinite plane medium under mixed-mode loading using Large-scale Molecular Massively Parallel Simulator (LAMMPS), a classical molecular dynamics code, are performed. The inter-atomic potential used in this investigation is Embedded Atom Method (EAM) potential. The plane specimens with initial central crack were subjected to Mixed-Mode loadings. The simulation cell contains 400000 atoms. The crack propagation direction angles under different values of the mixity parameter in a wide range of values from pure tensile loading to pure shear loading in a wide diapason of temperatures (from 0.1 К to 800 К) are obtained and analyzed. It is shown that the crack propagation direction angles obtained by molecular dynamics method coincide with the crack propagation direction angles given by the multi-parameter fracture criteria based on the strain energy density and the multi-parameter description of the crack-tip fields.

Apigenin Attenuates Experimental Autoimmune Myocarditis by Modulating Th1/Th2 Cytokine Balance in Mice.

PubMed

Zhang, Shouxin; Liu, Xiaoyan; Sun, Chengming; Yang, Jun; Wang, Lihong; Liu, Jie; Gong, Lei; Jing, Yanyan

2016-04-01

This study aims to investigate the protective effect of apigenin on the development of experimental autoimmune myocarditis (EAM) and the underlying mechanisms. An EAM model was induced in BALB/c mice by the injection of porcine cardiac myosin. Apigenin was orally administered from day 1 to 21. The severity of myocarditis was assessed by determination of heart weight/body weight ratio (HW/BW) and histopathological evaluation. Echocardiography was conducted to evaluate the cardiac function and heart structure. Antigen-specific T cell proliferation responses to cardiac myosin were evaluated by the lymphocyte proliferation assay. ELISA was used to determine serum levels of type 1 helper (Th1) and Th2 cytokines. Apigenin treatment significantly decreased HW/BW. Histopathologic analysis showed that the infiltration of inflammatory cells was reduced significantly by apigenin treatment. Meanwhile, apigenin administration effectively ameliorated autoimmune myocarditis-induced cardiac hypertrophy and cardiac dysfunction as well as inhibited lymphocyte proliferation in mice immunized with myosin. Furthermore, Th1 cytokines tumor necrosis factor-alpha (TNF-α), interferon-gamma (IFN-γ), and interleukin-2 (IL-2) were significantly downregulated, while Th2 cytokines IL-4 and IL-10 were markedly upregulated. The results indicated that apigenin can alleviate EAM due to its immunomodulatory reactions in modification of helper T cell balance.

Therapy with granulocyte colony-stimulating factor in the chronic stage, but not in the acute stage, improves experimental autoimmune myocarditis in rats via nitric oxide.

PubMed

Shimada, Kana; Okabe, Taka-aki; Mikami, Yu; Hattori, Miki; Fujita, Masatoshi; Kishimoto, Chiharu

2010-09-01

We systematically investigated serial efficacy of granulocyte colony-stimulating factor (G-CSF) therapy upon experimental autoimmune myocarditis (EAM) in rats treated with and without the inhibition of nitric oxide (NO) with the analyses of tissue regeneration. G-CSF could mobilize multipotent progenitor cells of bone marrow into the peripheral blood and may improve ventricular function. A rat model of porcine myosin-induced EAM was used. After the immunization of myosin, G-CSF (10 microg/kg/day) or saline was injected intraperitoneally on days 0-21 in experiment 1 and on days 21-42 in experiment 2. Additional myosin-immunized rats were orally given 25 mg/kg/day of N(G)-nitro-L-arginine methylester (L-NAME), an inhibitor of nitric oxide synthase (NOS), in each experiment (each group; n=8-21). Serum cytokines and peripheral blood cell counts were measured in each group. In experiment 1, G-CSF treatment aggravated cardiac pathology associated with increased macrophage inflammatory protein-2 (MIP-2) and interleukin-6 (IL-6) levels and enhanced superoxide production. In experiment 2, G-CSF treatment reduced the severity of myocarditis with increased capillary density and improved left ventricular ejection fraction. In the rats with EAM treated with G-CSF associated with oral L-NAME treatment in experiment 2, the severity of myocarditis was not reduced. Myocardial c-kit(+) cells were demonstrated only in G-CSF-treated group in experiment 2 but not in other groups. G-CSF has differential effects on EAM in rats associated with the modulation of cytokine network. The overwhelming superoxide production by G-CSF administration in the acute stage may worsen the disease. G-CSF therapy improved cardiac function via NO system in a rat model of myocarditis in the chronic stage, but not in the acute stage, possibly through the myocardial regeneration and acceleration of healing process. Copyright 2010 Elsevier Ltd. All rights reserved.

STENCIL - Strategies and Tools for Environment-friendly Shore Nourishments as Climate Change Impact Low-Regret Measures

NASA Astrophysics Data System (ADS)

Schimmels, Stefan; Cofalla, Catrina; Deutschmann, Björn; Ganal, Caroline; Gijsman, Rik; Hass, H. Christian; Hollert, Henner; Mielck, Finn; Schlurmann, Thorsten; Schüttrumpf, Holger; Shiravani, Gholamreza; Staudt, Franziska; Strusinska, Agnieszka; Visscher, Jan; Wiltshire, Karen; Wolbring, Johanna

2017-04-01

Shore nourishments are regarded as an almost routine coastal protection measure and have been carried out worldwide for several decades. Recent studies generally conclude that "soft" coastal protection measures are an effective option for a sustainable coastal management. However, more research on economic sustainability, species-specific habitat demands and availability of sand deposits is required. Nowadays, the recent paradigm shifts to concepts like the Integrated Coastal Zone Management (ICZM) and the Ecosystem Approach to Management (EAM). For the German Wadden Sea these management objectives are an important issue of the "Wattenmeerstrategie 2100" (MELLUR-SH, 2015), a political strategy report that demands an adaption against the global change and the expected sea-level rise up to the year 2100. Hence, also new concepts and tools for the implementation of more sustainable, effective and environment-friendly shore nourishments are needed. The research project STENCIL joins the expertise of coastal engineers, geologists, biologists and toxicologists in order to make a first step towards the long-term goal of establishing an ICZM and EAM for shore nourishments in the German Wadden Sea. The project focuses on providing improved tools, models and methods for the prediction of coastal hydro- and morphodynamics. Furthermore, the impact of dredging and dumping activities on benthic habitats and their natural regeneration potentials will be evaluated. Since these impacts are still widely uninvestigated, monitoring of dredging areas and the surrounding sites using hydroacoustic devices, aerial photos and sediment samples for grain-size and benthos analysis remains of high importance. In order to develop standardized operative observation methods, analysis and decision-supporting tools, an implementation of field measurements, laboratory experiments as well as conceptual and numerical models is planned. These combined approaches will result in valuable data sets for habitat evaluation, improved prediction methods as well as process and work-flow studies. Finally, a strategy for future planning and monitoring of shore nourishment projects will be established in close cooperation with the coastal authorities. STENCIL has recently started in October 2016 within the research program "Research for sustainable development" (FONA) of the German Federal Ministry of Education and Research (BMBF). The poster will give an overview of the project structure and present the research objectives and methods in more detail.

Voltage-based Device Tracking in a 1.5 Tesla MRI during Imaging: Initial validation in swine models

PubMed Central

Schmidt, Ehud J; Tse, Zion TH; Reichlin, Tobias R; Michaud, Gregory F; Watkins, Ronald D; Butts-Pauly, Kim; Kwong, Raymond Y; Stevenson, William; Schweitzer, Jeffrey; Byrd, Israel; Dumoulin, Charles L

2013-01-01

Purpose Voltage-based device-tracking (VDT) systems are commonly used for tracking invasive devices in electrophysiological (EP) cardiac-arrhythmia therapy. During EP procedures, electro-anatomic-mapping (EAM) workstations provide guidance by integrating VDT location and intra-cardiac-ECG information with X-ray, CT, Ultrasound, and MR images. MR assists navigation, mapping and radio-frequency-ablation. Multi-modality interventions require multiple patient transfers between an MRI and the X-ray/ultrasound EP suite, increasing the likelihood of patient-motion and image mis-registration. An MRI-compatible VDT system may increase efficiency, since there is currently no single method to track devices both inside and outside the MRI scanner. Methods An MRI-compatible VDT system was constructed by modifying a commercial system. Hardware was added to reduce MRI gradient-ramp and radio-frequency-unblanking-pulse interference. VDT patches and cables were modified to reduce heating. Five swine cardiac VDT EAM-mapping interventions were performed, navigating inside and thereafter outside the MRI. Results Three-catheter VDT interventions were performed at >12 frames-per-second both inside and outside the MRI scanner with <3mm error. Catheters were followed on VDT- and MRI-derived maps. Simultaneous VDT and imaging was possible in repetition-time (TR) >32 msec sequences with <0.5mm errors, and <5% MRI SNR loss. At shorter TRs, only intra-cardiac-ECG was reliable. RF Heating was <1.5C°. Conclusion An MRI-compatible VDT system is feasible. PMID:23580479

Equilibrium composition of interphase boundaries

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

Wynblatt, P.

1990-01-01

Two modeling approaches have been used to investigate segregation effects at interphase boundaries. The first approach is based on the nearest neighbor bond model, used in conjunction with the regular solution approximation, and is an extension of an earlier framework developed to address segregation phenomena at free surfaces. In order to model a semicoherent interphase boundary, we have employed a second modeling approach, based on Monte Carol simulation, in conjunction with the embedded atom method (EAM). The EAM is a powerful new method for describing interatomic interactions in metallic systems. It includes certain many-body interactions that depend on the localmore » environment of an atom. The Monte Carol approach has been applied to semicoherent interphase boundaries in Cu-Ag-Au alloys dilute in Au. These alloys consist of coexisting Cu-rich and Ag-rich phases, which differ in lattice constant by about 12%, such that good matching across in interface occurs when nine structural units of the Cu-rich phase are opposed to eight structural units of the Ag-rich phase. Thus far, interfaces with two different orientations have been studied: {l brace}001{r brace}-Cu//{l brace}001{r brace}-Ag, {l angle}110{r angle}-Cu//{l angle}110{r angle}-Ag; and {l brace}111{r brace}-Cu//{l brace}111{r brace}-Ag, {l angle}110{r angle}-Cu//{l angle}110{r angle}-Ag. These two interfaces will be referred to as the (001) and (111) interphase boundaries, for short. 18 refs.« less

Molecular Dynamics Modeling of Thermal Properties of Aluminum Near Melting Line

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

Karavaev, A. V.; Dremov, V. V.; Sapozhnikov, F. A.

2006-08-03

In this work we present results of calculations of thermal properties of solid and liquid phases of aluminum at different densities and temperatures using classical molecular dynamics with EAM potential function. Dependencies of heat capacity CV on temperature and density have been analyzed. It was shown that when temperature increases, heat capacity CV behavior deviates from that by Dulong-Petit law. It may be explained by influence of anharmonicity of crystal lattice vibrations. Comparison of heat capacity CV of liquid phase with Grover's model has been performed. Dependency of aluminum melting temperature on pressure has been acquired.

Application of the Ecosystem Assessment Model to Lake Norman: A cooling lake in North Carolina: Final report

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

Porcella, D.B.; Bowie, G.L.; Campbell, C.L.

The Ecosystem Assessment Model (EAM) of the Cooling Lake Assessment Methodology was applied to the extensive ecological field data collected at Lake Norman, North Carolina by Duke Power Company to evaluate its capability to simulate lake ecosystems and the ecological effects of steam electric power plants. The EAM provided simulations over a five-year verification period that behaved as expected based on a one-year calibration. Major state variables of interest to utilities and regulatory agencies are: temperature, dissolved oxygen, and fish community variables. In qualitative terms, temperature simulation was very accurate, dissolved oxygen simulation was accurate, and fish prediction was reasonablymore » accurate. The need for more accurate fisheries data collected at monthly intervals and non-destructive sampling techniques was identified.« less

Nano-Indentation of Aluminium Reinforced Metallic Glass Composites: A Molecular Dynamics Study

NASA Astrophysics Data System (ADS)

Yadav, D.; Gupta, P.; Yedla, N.

2018-03-01

Molecular dynamics (MD) simulations are performed for nanoindentation on metal (Al)-metallic glass (Cu50Zr50) reinforced composites to investigate the mechanical properties and the effects of volume percentage on behavior of the load-displacement curves. The interaction among Al-Cu-Zr is modelled using a EAM (Embedded Atom Method) potential. Simulation box size of 100 Å (x) × 100 Å (y) × 100 Å (z) is modelled for investigating the properties of the sintered models by altering the volume percentage on the scale of 5%-20%. Nanoindentation is done along y-direction with a spherical diamond indenter at temperature of 300 K with constant indentation speed of 100 m/s. NVT ensemble is used with a timestep of 0.002 ps. Investigations on the effect of volume percentage show that as volume percentage of Metallic Glass (MG) increases, the corresponding Load required to penetrate inside the sample also increases. As a result of this Hardness also increase as volume percentage varies from 5% to 20%.

Development of Xe and Kr empirical potentials for CeO 2, ThO 2, UO 2 and PuO 2, combining DFT with high temperature MD

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

Cooper, M. W. D.; Kuganathan, N.; Burr, P. A.

In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2, ThO 2, UO 2 and PuO 2. These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matchingmore » to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2, ThO 2, UO 2 and PuO 2, providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.« less

Development of Xe and Kr empirical potentials for CeO 2, ThO 2, UO 2 and PuO 2, combining DFT with high temperature MD

DOE PAGES

Cooper, M. W. D.; Kuganathan, N.; Burr, P. A.; ...

2016-08-23

In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2, ThO 2, UO 2 and PuO 2. These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matchingmore » to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2, ThO 2, UO 2 and PuO 2, providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.« less

The feasibility and RE-AIM evaluation of the TAME health pilot study.

PubMed

Lewis, Zakkoyya H; Ottenbacher, Kenneth J; Fisher, Steve R; Jennings, Kristofer; Brown, Arleen F; Swartz, Maria C; Martinez, Eloisa; Lyons, Elizabeth J

2017-08-14

Conducting 5 A's counseling in clinic and utilizing technology-based resources are recommended to promote physical activity but little is known about how to implement such an intervention. This investigation aimed to determine the feasibility and acceptability, using the RE-AIM (Reach, Effectiveness, Adoption, Implementation, Maintenance) framework, of a pragmatic, primary care-based intervention that incorporated 5 A's counseling and self-control through an activity monitor. Primary care patients (n = 40) 55-74 years of age were recruited and randomized to receive a pedometer or an electronic activity monitor (EAM), Jawbone UP24, to monitor activity for 12 weeks. Participants were also invited to a focus group after completing the intervention. Stakeholders (n = 36) were recruited to provide feedback. The intervention recruitment rate was 24.7%. The attrition rate was 20% with a significantly higher rate for the pedometer group (p = 0.02). The EAM group increased their minutes of physical activity by 11.1 min/day while the pedometer maintained their activity (0.2 min/day), with no significant group difference. EAM participants liked using their monitor and would continue wearing it while the pedometer group was neutral to these statements (p < 0.05). Over the 12 weeks there were 490 comments and 1094 "likes" given to study peers in the corresponding application for the UP24 monitor. Some EAM participants enjoyed the social interaction feature while others were uncomfortable talking to strangers. Participants stated they would want counseling from a counselor and not their physician or a nurse. Other notable comments included incorporating multiple health behaviors, more in-person counseling with a counselor, and having a funding source for sustainability. Overall, the study was well-received but the results raise a number of considerations. Practitioners, counselors, and researchers should consider the following before implementing a similar intervention: 1) utilize PA counselors, 2) target multiple health behaviors, 3) form a social support group, 4) identify a funding source for sustainability, and 5) be mindful of concerns with technology. clinicaltrials.gov- NCT02554435 . Registered 24 August 2015.

The Space Launch System and the Proving Ground: Pathways to Mars

NASA Astrophysics Data System (ADS)

Klaus, Kurt K.

2014-11-01

Introduction: The Space Launch System (SLS) is the most powerful rocket ever built and provides a critical heavy-lift launch capability. We focus on mission concepts relevant to NASA’s Cislunar Proving Ground and the Global Exploration Roadmap (GER).Asteroid Redirect Mission (ARM): ARM in part is a mission to the lunar vicinity. The ARM mission requirements result in system design based on a modified version of our 702 spacecraft. Including a NASA Docking System (NDS) on the Asteroid Redirect Vehicle allows for easier crewed exploration integration and execution. Exploration Augmentation Module (EAM): Crew operations at a redirected asteroid could be significantly enhanced by providing additional systems and EVA capabilities beyond those available from the Orion only. An EAM located with the asteroid would improve the science and technical return of the mission while also increasing Orion capability through resource provision, abort location and safe haven for contingencies. The EAM could be repurposed as a cislunar exploration platform that advances scientific research, enables lunar surface exploration and provides a deep space vehicle assembly and servicing site. International Space Station (ISS) industry partners have been working for the past several years on concepts for using ISS development methods and assets to support a broad range of exploration missions.Lunar Surface: The mission objectives are to provide lunar surface access for crew and cargo and to provide as much system reuse as possible. Subsequent missions to the surface can reuse the same lander and Lunar Transfer Vehicle.Mars Vicinity: The International space community has declared that our unified horizon goal is for a human mission to Mars. Translunar infrastructure and heavy lift capability are key to this approach. The moons of Mars would provide an excellent stepping stone to the surface. As a “shake-down” cruise before landing, a mission to Deimos or Phobos would test all of the systems except those needed to get to the surface and back. This test would provide confidence for the in-space transportations and crew habitat systems.

The Space Launch System and the Proving Ground: Pathways to Mars

NASA Astrophysics Data System (ADS)

Klaus, K.

2014-12-01

Introduction: The Space Launch System (SLS) is the most powerful rocket ever built and provides a critical heavy-lift launch capability. We present mission concepts relevant to NASA's Cislunar Proving Ground and the Global Exploration Roadmap (GER).Asteroid Redirect Mission (ARM): ARM in part is a mission to the lunar vicinity. The ARM mission requirements result in system design based on a modified version of our 702 spacecraft. Including a NASA Docking System (NDS) on the Asteroid Redirect Vehicle allows for easier crewed exploration integration and execution. Exploration Augmentation Module (EAM): Crew operations at a redirected asteroid could be significantly enhanced by providing additional systems and EVA capabilities beyond those available from the Orion only. An EAM located with the asteroid would improve the science and technical return of the asteroid mission while also increasing Orion capability through resource provision and providing an abort location and safe haven for contingencies. The EAM could be repurposed as a cislunar exploration platform that advances scientific research, enables lunar surface exploration and provides a deep space vehicle assembly and servicing site. International Space Station (ISS) industry partners have been working for the past several years on concepts for using ISS development methods and assets to support a broad range of missions. These concepts have matured along with planning details for NASA's SLS and Orion for a platform located in the Earth-Moon Libration (EML) system or Distant Retrograde Orbit (DRO).Lunar Surface: The mission objectives are to provide lunar surface access for crew and cargo and to provide as much reuse as possible. Subsequent missions to the surface can reuse the same lander and Lunar Transfer Vehicle.Mars Vicinity: The International space community has declared that our unified horizon goal is for a human mission to Mars. Translunar infrastructure and heavy lift capability are key to this approach. The moons of Mars would provide an excellent stepping stone to the surface. As a "shake-down" cruise before landing, a mission to Deimos or Phobos would test all of the systems except those needed to get to the surface and back. This test would provide confidence for the in-space transportations and crew habitat systems.

Poetry and Poster Production.

ERIC Educational Resources Information Center

Shein, Dina

1993-01-01

Describes a school library media project for teaching poetry in which fifth-grade students write and illustrate a poem and produce a poster using the PosterPrinter machine. Suggestions for additional activities are included. (EAM)

Mononuclear cell secretome protects from experimental autoimmune myocarditis.

PubMed

Hoetzenecker, Konrad; Zimmermann, Matthias; Hoetzenecker, Wolfram; Schweiger, Thomas; Kollmann, Dagmar; Mildner, Michael; Hegedus, Balazs; Mitterbauer, Andreas; Hacker, Stefan; Birner, Peter; Gabriel, Christian; Gyöngyösi, Mariann; Blyszczuk, Przemyslaw; Eriksson, Urs; Ankersmit, Hendrik Jan

2015-03-14

Supernatants of serum-free cultured mononuclear cells (MNC) contain a mix of immunomodulating factors (secretome), which have been shown to attenuate detrimental inflammatory responses following myocardial ischaemia. Inflammatory dilated cardiomyopathy (iDCM) is a common cause of heart failure in young patients. Experimental autoimmune myocarditis (EAM) is a CD4+ T cell-dependent model, which mirrors important pathogenic aspects of iDCM. The aim of this study was to determine the influence of MNC secretome on myocardial inflammation in the EAM model. BALB/c mice were immunized twice with an alpha myosin heavy chain peptide together with Complete Freund adjuvant. Supernatants from mouse mononuclear cells were collected, dialysed, and injected i.p. at Day 0, Day 7, or Day 14, respectively. Myocarditis severity, T cell responses, and autoantibody formation were assessed at Day 21. The impact of MNC secretome on CD4+ T cell function and viability was evaluated using in vitro proliferation and cell viability assays. A single high-dose application of MNC secretome, injected at Day 14 after the first immunization, effectively attenuated myocardial inflammation. Mechanistically, MNC secretome induced caspase-8-dependent apoptosis in autoreactive CD4+ T cells. MNC secretome abrogated myocardial inflammation in a CD4+ T cell-dependent animal model of autoimmune myocarditis. This anti-inflammatory effect of MNC secretome suggests a novel and simple potential treatment concept for inflammatory heart diseases. © The Author 2013. Published by Oxford University Press on behalf of the European Society of Cardiology.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100-x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-03-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100- x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-06-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

Provenance of Continental Margin Sediments in the East China Sea, Results from IODP Expedition 346

NASA Astrophysics Data System (ADS)

Anderson, C. H.; Dunlea, A. G.; Murray, R. W.; Tada, R.; Alvarez Zarikian, C. A.

2016-12-01

Sedimentation in the East China Sea (ECS) is driven largely by fluvial and eolian fluxes that are likely influenced by the East Asian Monsoon (EAM). Seasonal shifts and long term trends in the atmospheric and precipitation regimes over Asia are recorded in the inorganic chemistry of the sediment of the ECS and other Asian coastal seas. Changes in the intensity and timing of the EAM over a variety of time scales may impact the relative proportion of fluvial and eolian inputs into the ECS, and perhaps even their individual sources. We utilize bulk sediment recovered from IODP Sites U1428 and U1429 in the ECS during IODP Expedition 346 in 2013 to examine changes in the EAM over the past 400ky. Sites U1428 and U1429 are located in the northernmost portion of the ECS in the Danjo Basin, and are separated by 7.4 km. We present major, trace and rare earth element (REE) data for 83 bulk sediment samples analyzed by ICP-ES and ICP-MS, and interpret this data set using a variety of geochemical approaches in addition to multivariate statistics (Q-mode Factor Analyses, Multiple Linear Regressions) to investigate the provenance of terrigenous material during the Pleistocene. We focus on a suite of nine elements that are associated with terrigenous components (Al, Ti, Sc, Cr, Ni, Zn, Rb, Th, La), and that are expected to reflect potential changes in provenance. At both sites average downhole major element ratios exhibit limited variation, but indicate mixing between multiple compositional sources. Ternary diagrams utilizing La-Th-Sc and Rb-Sc-Zn diagrams suggest crustal mixing between three or more sources including upper continental and mafic inputs. Our multivariate statistical data exploration consistently indicates four statistically robust end members explaining 99% of total data variability when we treat these sites as a combined regional signal. Considering each site separately, the four end members are joined by additional fifth end member at each site; highlighting variation in Cr or Ti depending on the site. Inputs from different upper crustal sources and most likely including refractory sands are the most likely contributors to the bulk sediment. Additional results from further statistical analysis will also be presented.

Angular Vibration of Aircraft. Volume 2. Prediction Methods for Angular Vibration

DTIC Science & Technology

1979-04-01

LNOU=BEAM(L+2pK) IF (LNOD.NE,I) GO 10 160 CALL RLADMS(IN, BMAT ,17*17liFX(bEAM(1𔃿K))+NSHLTY) 336 UU ibU LL=Itb LLL=10M(LLoL) II (LLL,LU,U) Gj IU 150 uu...14u M=IP3 uu 130 MM:I,b MMM=IbM(MM,M) IF (MMM.LQ.O) GO I0 130 MNOU=bLAM(M+2pK) IBIG=bA(MNUD-I)+MM bIG(181G,LL)=blG(ibIG,LL)+ bMAT (LLLiMMM) 13U CUNTINUE

Rapid insights from remote sensing in the geosciences

NASA Astrophysics Data System (ADS)

Plaza, Antonio

2015-03-01

The growing availability of capacity computing for atomistic materials modeling has encouraged the use of high-accuracy computationally intensive interatomic potentials, such as SNAP. These potentials also happen to scale well on petascale computing platforms. SNAP has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected on to a basis of hyperspherical harmonics in four dimensions. The computational cost per atom is much greater than that of simpler potentials such as Lennard-Jones or EAM, while the communication cost remains modest. We discuss a variety of strategies for implementing SNAP in the LAMMPS molecular dynamics package. We present scaling results obtained running SNAP on three different classes of machine: a conventional Intel Xeon CPU cluster; the Titan GPU-based system; and the combined Sequoia and Vulcan BlueGene/Q. The growing availability of capacity computing for atomistic materials modeling has encouraged the use of high-accuracy computationally intensive interatomic potentials, such as SNAP. These potentials also happen to scale well on petascale computing platforms. SNAP has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected on to a basis of hyperspherical harmonics in four dimensions. The computational cost per atom is much greater than that of simpler potentials such as Lennard-Jones or EAM, while the communication cost remains modest. We discuss a variety of strategies for implementing SNAP in the LAMMPS molecular dynamics package. We present scaling results obtained running SNAP on three different classes of machine: a conventional Intel Xeon CPU cluster; the Titan GPU-based system; and the combined Sequoia and Vulcan BlueGene/Q. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. Dept. of Energy's National Nuclear Security Admin. under Contract DE-AC04-94AL85000.

Beneficial effects of edaravone, a novel antioxidant, in rats with dilated cardiomyopathy

PubMed Central

Arumugam, Somasundaram; Thandavarayan, Rajarajan A; Veeraveedu, Punniyakoti T; Nakamura, Takashi; Arozal, Wawaimuli; Sari, Flori R; Giridharan, Vijayasree V; Soetikno, Vivian; Palaniyandi, Suresh S; Harima, Meilei; Suzuki, Kenji; Nagata, Masaki; Kodama, Makoto; Watanabe, Kenichi

2012-01-01

Edaravone, a novel antioxidant, acts by trapping hydroxyl radicals, quenching active oxygen and so on. Its cardioprotective activity against experimental autoimmune myocarditis (EAM) was reported. Nevertheless, it remains to be determined whether edaravone protects against cardiac remodelling in dilated cardiomyopathy (DCM). The present study was undertaken to assess whether edaravone attenuates myocardial fibrosis, and examine the effect of edaravone on cardiac function in rats with DCM after EAM. Rat model of EAM was prepared by injection with porcine cardiac myosin 28 days after immunization, we administered edaravone intraperitoneally at 3 and 10 mg/kg/day to rats for 28 days. The results were compared with vehicle-treated rats with DCM. Cardiac function, by haemodynamic and echocardiographic study and histopathology were performed. Left ventricular (LV) expression of NADPH oxidase subunits (p47phox, p67phox, gp91phox and Nox4), fibrosis markers (TGF-β1 and OPN), endoplasmic reticulum (ER) stress markers (GRP78 and GADD 153) and apoptosis markers (cytochrome C and caspase-3) were measured by Western blotting. Edaravone-treated DCM rats showed better cardiac function compared with those of the vehicle-treated rats. In addition, LV expressions of NADPH oxidase subunits levels were significantly down-regulated in edaravone-treated rats. Furthermore, the number of collagen-III positive cells in the myocardium of edaravone-treated rats was lower compared with those of the vehicle-treated rats. Our results suggest that edaravone ameliorated the progression of DCM by modulating oxidative and ER stress-mediated myocardial apoptosis and fibrosis. PMID:22268705

Equine atypical myopathy caused by hypoglycin A intoxication associated with ingestion of sycamore maple tree seeds.

PubMed

Żuraw, A; Dietert, K; Kühnel, S; Sander, J; Klopfleisch, R

2016-07-01

Evidence suggest there is a link between equine atypical myopathy (EAM) and ingestion of sycamore maple tree seeds. To further evaluate the hypothesis that the ingestion of hypoglycin A (HGA) containing sycamore maple tree seeds causes acquired multiple acyl-CoA dehydrogenase deficiency and might be associated with the clinical and pathological signs of EAM. Case report. Necropsy and histopathology, using hematoxylin and eosin and Sudan III stains, were performed on a 2.5-year-old mare that died following the development of clinical signs of progressive muscle stiffness and recumbency. Prior to death, the animal ingested sycamore maple tree seeds (Acer pseudoplatanus). Detection of metabolites in blood and urine obtained post mortem was performed by rapid ultra-performance liquid chromatography-tandem mass spectrometry. Data from this case were compared with 3 geldings with no clinical history of myopathy. Macroscopic examination revealed fragments of maple tree seeds in the stomach and severe myopathy of several muscle groups including Mm. intercostales, deltoidei and trapezii. Histologically, the affected muscles showed severe, acute rhabdomyolysis with extensive accumulation of finely dispersed fat droplets in the cytoplasm of degenerated skeletal muscle cells not present in controls. Urine and serum concentrations of several acyl carnitines and acyl glycines were increased, and both contained metabolites of HGA, a toxic amino acid present in sycamore maple tree seeds. The study supports the hypothesis that ingestion of HGA-containing maple tree seeds may cause EAM due to acquired multiple acyl-CoA dehydrogenase deficiency. © 2015 EVJ Ltd.

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

NASA Technical Reports Server (NTRS)

Paik, Sun M.; Yoo, Sung M.; Namkung, Min; Wincheski, Russell A.; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

The 1993 AIA/ALA Building Award Recipients.

ERIC Educational Resources Information Center

Muller, Karen

1993-01-01

Describes the eight library buildings that won the 1993 Awards of Excellence for Library Architecture from the American Institute of Architects (AIA) and the American Library Association (ALA) including one adaptive reuse, four expansions, two new buildings, and one temporary building. (EAM)

Easy Online Access to Helpful Internet Guides.

ERIC Educational Resources Information Center

Tuss, Joan

1993-01-01

Lists recommended guides to the Internet that are available electronically. Basic commands needed to use anonymous ftp (file transfer protocol) are explained. An annotation and command formats to access, scan, retrieve, and exit each file are included for 11 titles. (EAM)

Multimedia: The Future of Information Delivery to Homes and Businesses.

ERIC Educational Resources Information Center

Katz, Matthew

1993-01-01

Provides an overview of developments in bringing affordable interactive multimedia services to homes and businesses. Viewpoints and efforts of leaders in the movement toward an electronic superhighway are described, including cable companies, telephone companies, entertainment, and publishing industries. (EAM)

Copyright Catechism.

ERIC Educational Resources Information Center

Burke, Edmund B.

1993-01-01

Provides a basic introduction to copyright through a question-and-answer format. Topics covered include definition of copyright, copyright notices and registration, rights to owners, duration, software, civil and criminal penalties, the work-made-for-hire doctrine, fair use, transfer, international scope, licenses, and student materials. (EAM)

Cannabidiol limits Tcell-mediated chronic autoimmune myocarditis: implications to autoimmune disorders and organ transplantation.

PubMed

Lee, Wen-Shin; Erdelyi, Katalin; Matyas, Csaba; Mukhopadhyay, Partha; Varga, Zoltan V; Liaudet, Lucas; Haskó, György; Čiháková, Daniela; Mechoulam, Raphael; Pacher, Pal

2016-01-08

Myocarditis is a major cause of heart failure and sudden cardiac death in young adults and adolescents. Many cases of myocarditis are associated with autoimmune processes in which cardiac myosin is a major autoantigen. Conventional immunosuppressive therapies often provide unsatisfactory results and are associated with adverse toxicities during the treatment of autoimmune myocarditis. Cannabidiol (CBD) is a non-psychoactive constituent of Marijuana which exerts antiinflammatory effects independent from classical cannabinoid receptors. Recently 80 clinical trials have been reported investigating the effects of CBD in various diseases from inflammatory bowel disease to graft-versus-host disease. CBD-based formulations are used for the management of multiple sclerosis in numerous countries, and CBD also received FDA approval for the treatment of refractory childhood epilepsy and glioblastoma multiforme. Herein, using a well-established mouse model of experimental autoimmune myocarditis (EAM) induced by immunization with cardiac myosin emmulsified in adjuvant resulting in T cell-mediated inflammation, cardiomyocyte cell death, fibrosis and myocardial dysfunction, we studied the potential beneficial effects of CBD. EAM was characterized by marked myocardial T cell-infiltration, profound inflammatory response, fibrosis (measured by qRT-PCR, histology and immunohistochemistry analyses) accompanied by marked attenuation of both systolic and diastolic cardiac functions measured with pressure-volume conductance catheter technique. Chronic treatment with CBD largely attenuated the CD3+ and CD4+ mediated inflammatory response and injury, myocardial fibrosis and cardiac dysfunction in mice. CBD may represent a promising novel treatment for management of autoimmune myocarditis and possibly other autoimmune disorders, and organ transplantation.

Cannabidiol Limits T Cell–Mediated Chronic Autoimmune Myocarditis: Implications to Autoimmune Disorders and Organ Transplantation

PubMed Central

Lee, Wen-Shin; Erdelyi, Katalin; Matyas, Csaba; Mukhopadhyay, Partha; Varga, Zoltan V; Liaudet, Lucas; Hask’, György; ’iháková, Daniela; Mechoulam, Raphael; Pacher, Pal

2016-01-01

Myocarditis is a major cause of heart failure and sudden cardiac death in young adults and adolescents. Many cases of myocarditis are associated with autoimmune processes in which cardiac myosin is a major autoantigen. Conventional immunosuppressive therapies often provide unsatisfactory results and are associated with adverse toxicities during the treatment of autoimmune myocarditis. Cannabidiol (CBD) is a nonpsychoactive constituent of marijuana that exerts antiinflammatory effects independent of classical cannabinoid receptors. Recently, 80 clinical trials have investigated the effects of CBD in various diseases from inflammatory bowel disease to graft versus host disease. CBD-based formulations are used for the management of multiple sclerosis in numerous countries, and CBD also received U.S. Food and Drug Administration approval for the treatment of refractory childhood epilepsy and glioblastoma multiforme. Herein, using a well-established mouse model of experimental autoimmune myocarditis (EAM) induced by immunization with cardiac myosin emmulsified in adjuvant resulting in T cell–mediated inflammation, cardiomyocyte cell death, fibrosis and myocardial dysfunction, we studied the potential beneficial effects of CBD. EAM was characterized by marked myocardial T-cell infiltration, profound inflammatory response and fibrosis (measured by quantitative real-time polymerase chain reaction, histology and immunohistochemistry analyses) accompanied by marked attenuation of both systolic and diastolic cardiac functions measured with a pressure-volume conductance catheter technique. Chronic treatment with CBD largely attenuated the CD3+ and CD4+ T cell–mediated inflammatory response and injury, myocardial fibrosis and cardiac dysfunction in mice. In conclusion, CBD may represent a promising novel treatment for managing autoimmune myocarditis and possibly other autoimmune disorders and organ transplantation. PMID:26772776

Local density variation of gold nanoparticles in aquatic environments

NASA Astrophysics Data System (ADS)

Hosseinzadeh, F.; Shirazian, F.; Shahsavari, R.; Khoei, A. R.

2016-10-01

Gold (Au) nanoparticles are widely used in diagnosing cancer, imaging, and identification of therapeutic methods due to their particular quantum characteristics. This research presents different types of aqueous models and potentials used in TIP3P, to study the effect of the particle size and density of Au clusters in aquatic environments; so it can be useful to facilitate future investigation of the interaction of proteins with Au nanoparticles. The EAM potential is used to model the structure of gold clusters. It is observed that in the systems with identical gold/water density and different cluster radii, gold particles are distributed in aqueous environment almost identically. Thus, Au particles have identical local densities, and the root mean square displacement (RMSD) increases with a constant slope. However in systems with constant cluster radii and different gold/water densities, Au particle dispersion increases with density; as a result, the local density decreases and the RMSD increases with a larger slope. In such systems, the larger densities result in more blunted second peaks in gold-gold radial distribution functions, owing to more intermixing of the clusters and less FCC crystalline features at longer range, a mechanism that is mediated by the competing effects of gold-water and gold-gold interactions.

Information Transfer and the Adoption of Agricultural Innovations.

ERIC Educational Resources Information Center

Longo, Rose Mary Juliano

1990-01-01

Data collected in the Federal District of Brazil were analyzed in terms of information transfer through mass media and interpersonal communication and how they influence farmers in the Federal District of Brazil in their decisions to adopt agricultural innovations. (42 references) (EAM)

A Mandate for Change in the Library Environment.

ERIC Educational Resources Information Center

Silberman, Richard M.

1993-01-01

The problem of indoor air quality and sick-building syndrome in libraries is explained in terms of human health and comfort and the preservation of books and manuscripts. Ventilation and indoor pollutants are discussed, and a proactive strategy of prevention is recommended. (EAM)

InGaAlAs RW-based electro-absorption-modulated DFB-lasers for high-speed applications

NASA Astrophysics Data System (ADS)

Moehrle, Martin; Klein, Holger; Bornholdt, Carsten; Przyrembel, Georges; Sigmund, Ariane; Molzow, Wolf-Dietrich; Troppenz, Ute; Bach, Heinz-Gunter

2014-05-01

Electro-absorption modulated 10G and 25G DFB lasers (EML) are key components in transmission systems for long reach (up to 10 km) and extended reach (up to 80 km) applications. The next generation Ethernet will most likely be 400 Gb/s which will require components with even higher bandwidth. Commercially available EMLs are regarded as high-cost components due to their separate epitaxial butt-coupling growth process to separately optimize the DFB laser and the electro-absorption modulator (EAM). Alternatively the selective area growth (SAG) technique is used to achieve different MQW bandgaps in the DFB and EAM section of an EML. However for a lot of applications an emission wavelength within a narrow wavelength window is required enforcing a temperature controlled operation. All these applications can be covered with the developed EML devices that use a single InGaAlAs MQW waveguide for both the DFB and the EAM enabling a low-cost fabrication process similar to a conventional DFB laser diode. It will be shown that such devices can be used for 25Gb/s and 40Gb/s applications with excellent performance. By an additional monolithic integration of an impedance matching circuit the module fabrication costs can be reduced but also the modulation bandwidth of the devices can be further enhanced. Up to 70Gb/s modulation with excellent eye openings can be achieved. This novel approach opens the possibility for 100Gb/s NRZ EMLs and thus 4x100Gb/s NRZ EML-based transmitters in future. Also even higher bitrates seem feasible using more complex modulation formats such as e.g. DMT and PAM.

Autobiographical Memory Deficits in Alcohol-Dependent Patients with Short- and Long-Term Abstinence.

PubMed

Nandrino, Jean-Louis; El Haj, Mohamad; Torre, Julie; Naye, Delphine; Douchet, Helyette; Danel, Thierry; Cottençin, Oliver

2016-04-01

Autobiographical memory (AM) enables the storage and retrieval of life experiences that allow individuals to build their sense of identity. Several AM impairments have been described in patients with alcohol abuse disorders without assessing whether such deficits can be recovered. This cross-sectional study aimed to identify whether the semantic (SAM) and episodic (EAM) dimensions of AM are affected in individuals with alcohol dependence after short-term abstinence (STA) or long-term abstinence (LTA). A second aim of this study was to examine the factors that could disrupt the efficiency of semantic and episodic AM (the impact of depression severity, cognitive functions, recent or early traumatic events, and drinking history variables). After clinical and cognitive evaluations (alcohol consumption, depression, anxiety, IQ, memory performance), AM was assessed with the Autobiographical Memory Interview in patients with recent (between 4 and 6 weeks) and longer (at least 6 months) abstinence. Participants were asked to retrieve the number and nature of traumatic or painful life experiences in recent or early life periods (using the Childhood Traumatic Events Scale). The 2 abstinent groups had lower global EAM and SAM scores than the control group. These scores were comparable for both abstinent groups. For childhood events, no significant differences were observed in SAM for both groups compared with control participants. For early adulthood and recent events, both STA and LTA groups had lower scores on both SAM and EAM. Moreover, there was a negative correlation between the length of substance consumption and SAM scores. This study highlighted a specific AM disorder in both episodic and semantic dimensions. These deficits remained after 6 months of abstinence. This AM impairment may be explained by compromised encoding and consolidation of memories during bouts of drinking. Copyright © 2016 by the Research Society on Alcoholism.

Outbreak of cholera in the East Akim Municipality of Ghana following unhygienic practices by small-scale gold miners, November 2010.

PubMed

Opare, Jkl; Ohuabunwo, C; Afari, E; Wurapa, F; Sackey, So; Der, J; Afakye, K; Odei, E

2012-09-01

In October 2010 an outbreak of cholera began among a group of small-scale gold miners in the East-Akim Municipality (EAM), Eastern Region. We investigated to verify the diagnosis, identify risk factors and recommend control measures. We conducted a descriptive investigation, active case-search and an unmatched case-control study. A cholera case-patient was a person with acute watery diarrhoea, with or without vomiting in EAM from 1st October to 20(th) November, 2010. Stool from case-patients and water samples were taken for laboratory diagnosis. We performed univariate and bivariate analysis using epi-info version 3.3. Of 136 case-patients, 77 (56.6%) were males, of which 40% were miners or from miners households. Index case, a 20 yr-old male miner from Apapam village reported on October 13(th), and case-patients peaked (18.4%) 20 days later. Attack rate was 2/1000 population with no fatality. Ages ranged from 1-84 years; mean of 34±18 yrs. Age-group 20-29 yrs was mostly affected (30.1%) with Apapam village having most case-patients (19.9%). Vibrio cholera serotype ogawa was isolated from stool samples. The main water source, Birim river was polluted by small-scale miners through defecation, post-defecation baths and sand-washings. Compared to controls, case-patients were more likely to have drunk from Birim-River [OR= 6.99, 95% CI: 2.75-18]. Vibrio cholera serotype ogawa caused the EAM cholera-outbreak affecting many young adult-males. Drinking water from contaminated community-wide -River was the major risk factors. Boiling or chlorination of water was initiated based on our recommendations and this controlled the outbreak.

Targeted Therapy for Acute Autoimmune Myocarditis with Nano-Sized Liposomal FK506 in Rats.

PubMed

Okuda, Keiji; Fu, Hai Ying; Matsuzaki, Takashi; Araki, Ryo; Tsuchida, Shota; Thanikachalam, Punniyakoti V; Fukuta, Tatsuya; Asai, Tomohiro; Yamato, Masaki; Sanada, Shoji; Asanuma, Hiroshi; Asano, Yoshihiro; Asakura, Masanori; Hanawa, Haruo; Hao, Hiroyuki; Oku, Naoto; Takashima, Seiji; Kitakaze, Masafumi; Sakata, Yasushi; Minamino, Tetsuo

2016-01-01

Immunosuppressive agents are used for the treatment of immune-mediated myocarditis; however, the need to develop a more effective therapeutic approach remains. Nano-sized liposomes may accumulate in and selectively deliver drugs to an inflammatory lesion with enhanced vascular permeability. The aims of this study were to investigate the distribution of liposomal FK506, an immunosuppressive drug encapsulated within liposomes, and the drug's effects on cardiac function in a rat experimental autoimmune myocarditis (EAM) model. We prepared polyethylene glycol-modified liposomal FK506 (mean diameter: 109.5 ± 4.4 nm). We induced EAM by immunization with porcine myosin and assessed the tissue distribution of the nano-sized beads and liposomal FK506 in this model. After liposomal or free FK506 was administered on days 14 and 17 after immunization, the cytokine expression in the rat hearts along with the histological findings and hemodynamic parameters were determined on day 21. Ex vivo fluorescent imaging revealed that intravenously administered fluorescent-labeled nano-sized beads had accumulated in myocarditic but not normal hearts on day 14 after immunization and thereafter. Compared to the administration of free FK506, FK506 levels were increased in both the plasma and hearts of EAM rats when liposomal FK506 was administered. The administration of liposomal FK506 markedly suppressed the expression of cytokines, such as interferon-γ and tumor necrosis factor-α, and reduced inflammation and fibrosis in the myocardium on day 21 compared to free FK506. The administration of liposomal FK506 also markedly ameliorated cardiac dysfunction on day 21 compared to free FK506. Nano-sized liposomes may be a promising drug delivery system for targeting myocarditic hearts with cardioprotective agents.

Left ventricular lead placement in the latest activated region guided by coronary venous electroanatomic mapping.

PubMed

Rad, Masih Mafi; Blaauw, Yuri; Dinh, Trang; Pison, Laurent; Crijns, Harry J; Prinzen, Frits W; Vernooy, Kevin

2015-01-01

Left ventricular (LV) lead placement in the latest activated region is an important determinant of response to cardiac resynchronization therapy (CRT). We investigated the feasibility of coronary venous electroanatomic mapping (EAM) to guide LV lead placement to the latest activated region. Twenty-five consecutive CRT candidates with left bundle-branch block underwent intra-procedural coronary venous EAM using EnSite NavX. A guidewire was used to map the coronary veins during intrinsic activation, and to test for phrenic nerve stimulation (PNS). The latest activated region, defined as the region with an electrical delay >75% of total QRS duration, was located anterolaterally in 18 (basal, n = 10; mid, n = 8) and inferolaterally in 6 (basal, n = 3; mid, n = 3). In one patient, identification of the latest activated region was impeded by limited coronary venous anatomy. In patients with >1 target vein (n = 12), the anatomically targeted inferolateral vein was rarely the vein with maximal electrical delay (n = 3). A concordant LV lead position was achieved in 18 of 25 patients. In six patients, this was hampered by PNS (n = 4), lead instability (n = 1), and coronary vein stenosis (n = 1). Coronary venous EAM can be used intraprocedurally to guide LV lead placement to the latest activated region free of PNS. This approach especially contributes to optimization of LV lead electrical delay in patients with multiple target veins. Conventional anatomical LV lead placement strategy does not target the vein with maximal electrical delay in many of these patients. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2014. For permissions please email: journals.permissions@oup.com.

Cold in-place recycling and full-depth recycling with asphalt products (CIR&FDRwAP).

DOT National Transportation Integrated Search

2009-03-01

In the 60s, 70s, and 80s, many Illinois local road agencies successfully used conventional asphalt : emulsions for In-Place Recycling to produce Emulsion-Aggregate-Mixtures (EAMs). In more recent years, these : emulsions have not been ...

The Basic Economics of CD-ROM Pricing.

ERIC Educational Resources Information Center

Erkkila, John E.

1991-01-01

This explanation of how the basic economic model of pricing applies to the CD-ROM industry considers the supply and demand sides of the market and compares three distinct pricing strategies: (1) pricing to maximize profits; (2) average cost pricing; and (3) marginal cost pricing. (EAM)

The Global Systems Analysis and Simulation (GLOSAS) Project, and the Global Lecture Hall (GLH) Operating at the Orlando ICEM Conference.

ERIC Educational Resources Information Center

Bell, John

1993-01-01

Introduces two articles which describe an interactive video conference between North and South America, the Caribbean, Europe, and Scandinavia as part of the International Council for Educational Media (ICEM) 1992 conference. (EAM)

Electroabsorption-modulated widely tunable DBR laser transmitter for WDM-PONs.

PubMed

Han, Liangshun; Liang, Song; Wang, Huitao; Qiao, Lijun; Xu, Junjie; Zhao, Lingjuan; Zhu, Hongliang; Wang, Baojun; Wang, Wei

2014-12-01

We present an InP based distributed Bragg reflector (DBR) laser transmitter which has a wide wavelength tuning range and a high chip output power for wavelength division multiplexing passive optical network (WDM-PON) applications. By butt-jointing InGaAsP with 1.45 µm emission wavelength as the material of the grating section, the laser wavelength can be tuned for over 13 nm by the DBR current. Accompanied by varying the chip temperature, the tuning range can be further enlarged to 16 nm. With the help of the integrated semiconductor optical amplifier (SOA), the largest chip output power is over 30 mW. The electroabsorption modulator (EAM) is integrated into the device by the selective-area growth (SAG) technique. The 3 dB small signal modulation bandwidth of the EAM is over 13 GHz. The device has both a simple tuning scheme and a simple fabrication procedure, making it suitable for low cost massive production which is desirable for WDM-PON uses.

Electroactive microorganisms in bulk solution contribute significantly to methane production in bioelectrochemical anaerobic reactor.

PubMed

Feng, Qing; Song, Young-Chae; Ahn, Yongtae

2018-07-01

The role of anaerobic microorganisms suspended in the bulk solution on methane production was investigated in a bioelectrochemical anaerobic reactor with the electrode polarized at 0.5 V. The electron transfer from substrate to methane and hydrogen were 25% and 7.5%, respectively, in the absence of the anaerobic microorganisms in the bulk solution. As the anaerobic microorganisms increased to 4400 mg/L, the electrons transferred to methane increased to 83.3% but decreased to 0.3% in hydrogen. The electroactive microorganisms (EAM), including exoelectrogens and electrotrophs, enriched in the bulk solution that confirmed by the redox peaks in the cyclic voltammogram was proportional to the anaerobic microorganism. The methane yield based on COD removal was dependent on the anaerobic microorganisms in the bulk solution rather than on the bioelectrode surface. The EAM suspended in the bulk solution are enriched by the polarized electrode, and significantly improve methane production in bioelectrochemical anaerobic reactor. Copyright © 2018 Elsevier Ltd. All rights reserved.

Mapping-by-Sequencing Identifies HvPHYTOCHROME C as a Candidate Gene for the early maturity 5 Locus Modulating the Circadian Clock and Photoperiodic Flowering in Barley

PubMed Central

Pankin, Artem; Campoli, Chiara; Dong, Xue; Kilian, Benjamin; Sharma, Rajiv; Himmelbach, Axel; Saini, Reena; Davis, Seth J; Stein, Nils; Schneeberger, Korbinian; von Korff, Maria

2014-01-01

Phytochromes play an important role in light signaling and photoperiodic control of flowering time in plants. Here we propose that the red/far-red light photoreceptor HvPHYTOCHROME C (HvPHYC), carrying a mutation in a conserved region of the GAF domain, is a candidate underlying the early maturity 5 locus in barley (Hordeum vulgare L.). We fine mapped the gene using a mapping-by-sequencing approach applied on the whole-exome capture data from bulked early flowering segregants derived from a backcross of the Bowman(eam5) introgression line. We demonstrate that eam5 disrupts circadian expression of clock genes. Moreover, it interacts with the major photoperiod response gene Ppd-H1 to accelerate flowering under noninductive short days. Our results suggest that HvPHYC participates in transmission of light signals to the circadian clock and thus modulates light-dependent processes such as photoperiodic regulation of flowering. PMID:24996910

Managing emergencies and abnormal situations in air traffic control (part II): teamwork strategies.

PubMed

Malakis, Stathis; Kontogiannis, Tom; Kirwan, Barry

2010-07-01

Team performance has been studied in many safety-critical organizations including aviation, nuclear power plant, offshore oil platforms and health organizations. This study looks into teamwork strategies that air traffic controllers employ to manage emergencies and abnormal situations. Two field studies were carried out in the form of observations of simulator training in emergency and unusual scenarios of novices and experienced controllers. Teamwork strategies covered aspects of team orientation and coordination, information exchange, change management and error handling. Several performance metrics were used to rate the efficiency of teamwork and test the construct validity of a prototype model of teamwork. This is a companion study to an earlier investigation of taskwork strategies in the same field (part I) and contributes to the development of a generic model for Taskwork and Teamwork strategies in Emergencies in Air traffic Management (T(2)EAM). Suggestions are made on how to use T(2)EAM to develop training programs, assess team performance and improve mishap investigations. Copyright 2010 Elsevier Ltd. All rights reserved.

The enemy within us: lessons from the 2011 European Escherichia coli O104:H4 outbreak.

PubMed

Karch, Helge; Denamur, Erick; Dobrindt, Ulrich; Finlay, B Brett; Hengge, Regine; Johannes, Ludgers; Ron, Eliora Z; Tønjum, Tone; Sansonetti, Philippe J; Vicente, Miguel

2012-09-01

In response to the 2011 European health alert caused by a pathogenic Escherichia coli O104:H4 outbreak, the European Academy of Microbiology (EAM), established by the Federation of European Microbiological Societies (FEMS), convened a meeting in Paris on November 30th, 2011 on 'EHEC infection and control' attended by world renowned experts in pathogenic E. coli. The major aims of this group were to review the scientific issues raised by the outbreak, to assess the handling of the crisis at the scientific and political levels, and to propose future actions. Several conclusions, which will have impact on future potential E. coli outbreaks, are outlined here. Copyright © 2012 EMBO Molecular Medicine.

Modeling Interfacial Thermal Boundary Conductance of Engineered Interfaces

DTIC Science & Technology

2014-08-31

melting / recrystallization of the subsurface Ag/Cu interface. Observed the formation of a novel, lattice-mismatched interfacial microstruc- ture...calculations were converged within 1 × 10−4 Ryd with respect to wave function cutoff energy, energy density cutoff, and k- point sampling. The A-EAM

Late Holocene monsoon climate of northeastern Taiwan inferred from elemental (C, N) and isotopic (δ13C, δ15N) data in lake sediments

NASA Astrophysics Data System (ADS)

Selvaraj, Kandasamy; Wei, Kuo-Yen; Liu, Kon-Kee; Kao, Shuh-Ji

2012-03-01

Little information exists about centennial-scale climate variability on oceanic islands in the western Pacific where the East Asian monsoon (EAM) strongly influences the climate, mountain ecosystem and the society. In this study, we investigate a 168 cm long sediment core recovered from Emerald Peak Lake in subalpine NE Taiwan for the contents of grain size, total organic carbon (TOC), C/N ratio, and stable isotopes (δ13C and δ15N) to reconstruct the monsoon climate and vegetation density during the late Holocene. Six radiocarbon (14C) ages obtained on plant remains used for the chronology indicate that the sediment core has been accumulated since ˜3770 cal BP with a mean sedimentation rate of 44.6 cm/ka. The sub-centennial resolution of our proxy records reveals strong fluctuations of the EAM and vegetation density for the past ˜3770 cal BP. The greater contents of coarse and medium sediments with overall decreasing trends from 3770 to 2000 cal BP suggest an increasing fine sediment influx from the catchment likely due to an increasing lake water level. Although low TOC content, C/N ratio, and enriched δ13C values in bulk and fine sediments during this interval suggest a sparsely vegetated catchment, increasing trends of TOC content and C/N ratio together with decreasing trends of δ13C and δ15N values indicate a strengthening pattern of summer monsoon. This is in contrast to a decreasing monsoon strength inferred from Dongge Cave δ18O record at that time, supporting the idea of anti-phasing of summer EAM and Indian summer monsoon. Since 2000 cal BP, higher content of fine sediments with high TOC content and C/N ratio but relatively depleted δ13C and low δ15N values suggest a high but stable lake water level and dense C3 plants, consistent with a stronger summer monsoon in a wet climate. Within this general trend, we interpret a prominent change of proxy parameters in sediments from ˜560 to 150 cal BP, as subtropical evidence for the Little Ice Age in NE Taiwan. By comparing our proxy records with other diverse land and marine records from southern China and adjoining marine realm, we demonstrate that the centennial to millennial-scale fluctuations of the summer EAM over the northeastern Taiwan during the late Holocene have been largely modulated by the tropical Pacific forcing through El Niño along with solar forcing.

Sea-surface temperatures for the last 7200 years from the eastern Sunda Shelf, South China Sea: Climatic inferences from planktonic foraminiferal Mg/Ca ratios

NASA Astrophysics Data System (ADS)

Woodson, Anna Lee; Leorri, Eduardo; Culver, Stephen J.; Mallinson, David J.; Parham, Peter R.; Thunell, Robert C.; Vijayan, V. R.; Curtis, Scott

2017-06-01

To test whether low latitude shallow shelf deposits can provide high resolution paleoclimatic records, we utilized two cores from the Holocene sedimentary fill of incised valleys on the Sunda Shelf off Sarawak, Malaysia. We developed a new sea-surface temperature (SST) record based on planktonic foraminiferal Mg/Ca for the last 7200 years. This record reveals several significant shifts between warmer and colder conditions. Temperatures averaged 27.5 °C ca. 7200 cal. years BP, then climbed to 28.2 °C from 6500 to 5500 cal. years BP. At 5500-4500 cal. years BP we identified the coldest period (26.8 °C) of the analyzed period. For the last 4500 years SST again averaged 27.5 °C but the profile is rather variable. The last ca. 1000 years recorded the warmest SST averaging 28.5 °C. We record, for the first time in this region, a cool interval, ca. 1000 years in duration, centered on 5000 cal years BP concomitant with a wet period recorded in Borneo. The record also reflects a warm interval from ca. 1000 to 500 cal years BP that may represent the Medieval Climate Anomaly. Variations in the East Asian Monsoon (EAM) and solar activity are considered as potential drivers of SST trends. However, hydrology changes related to the El Niño-Southern Oscillation (ENSO) variability, shifts of the Western Pacific Warm Pool and migration of the Intertropical Convergence Zone are more likely to have impacted our SST temporal trend. Our findings indicate that climatic patterns in the region might be in phase with ENSO and out of phase with the EAM.

Rotational X-ray angiography: a method for intra-operative volume imaging of the left-atrium and pulmonary veins for atrial fibrillation ablation guidance

NASA Astrophysics Data System (ADS)

Manzke, R.; Zagorchev, L.; d'Avila, A.; Thiagalingam, A.; Reddy, V. Y.; Chan, R. C.

2007-03-01

Catheter-based ablation in the left atrium and pulmonary veins (LAPV) for treatment of atrial fibrillation in cardiac electrophysiology (EP) are complex and require knowledge of heart chamber anatomy. Electroanatomical mapping (EAM) is typically used to define cardiac structures by combining electromagnetic spatial catheter localization with surface models which interpolate the anatomy between EAM point locations in 3D. Recently, the incorporation of pre-operative volumetric CT or MR data sets has allowed for more detailed maps of LAPV anatomy to be used intra-operatively. Preoperative data sets are however a rough guide since they can be acquired several days to weeks prior to EP intervention. Due to positional and physiological changes, the intra-operative cardiac anatomy can be different from that depicted in the pre-operative data. We present an application of contrast-enhanced rotational X-ray imaging for CT-like reconstruction of 3D LAPV anatomy during the intervention itself. Depending on the heart size a single or two selective contrastenhanced rotational acquisitions are performed and CT-like volumes are reconstructed with 3D filtered back projection. In case of dual injection, the two volumes depicting the left and right portions of the LAPV are registered and fused. The data sets are visualized and segmented intra-procedurally to provide anatomical data and surface models for intervention guidance. Our results from animal and human experiments indicate that the anatomical information from intra-operative CT-like reconstructions compares favorably with preacquired imaging data and can be of sufficient quality for intra-operative guidance.

Reliability and validity of tongue color analysis in the prediction of symptom patterns in terms of East Asian Medicine.

PubMed

Park, Young-Jae; Lee, Jin-Moo; Yoo, Seung-Yeon; Park, Young-Bae

2016-04-01

To examine whether color parameters of tongue inspection (TI) using a digital camera was reliable and valid, and to examine which color parameters serve as predictors of symptom patterns in terms of East Asian medicine (EAM). Two hundred female subjects' tongue substances were photographed by a mega-pixel digital camera. Together with the photographs, the subjects were asked to complete Yin deficiency, Phlegm pattern, and Cold-Heat pattern questionnaires. Using three sets of digital imaging software, each digital image was exposure- and white balance-corrected, and finally L* (luminance), a* (red-green balance), and b* (yellow-blue balance) values of the tongues were calculated. To examine intra- and inter-rater reliabilities and criterion validity of the color analysis method, three raters were asked to calculate color parameters for 20 digital image samples. Finally, four hierarchical regression models were formed. Color parameters showed good or excellent reliability (0.627-0.887 for intra-class correlation coefficients) and significant criterion validity (0.523-0.718 for Spearman's correlation). In the hierarchical regression models, age was a significant predictor of Yin deficiency (β = 0.192), and b* value of the tip of the tongue was a determinant predictor of Yin deficiency, Phlegm, and Heat patterns (β = - 0.212, - 0.172, and - 0.163). Luminance (L*) was predictive of Yin deficiency (β = -0.172) and Cold (β = 0.173) pattern. Our results suggest that color analysis of the tongue using the L*a*b* system is reliable and valid, and that color parameters partially serve as symptom pattern predictors in EAM practice.

Developing a Large Lexical Database for Information Retrieval, Parsing, and Text Generation Systems.

ERIC Educational Resources Information Center

Conlon, Sumali Pin-Ngern; And Others

1993-01-01

Important characteristics of lexical databases and their applications in information retrieval and natural language processing are explained. An ongoing project using various machine-readable sources to build a lexical database is described, and detailed designs of individual entries with examples are included. (Contains 66 references.) (EAM)

Teens in Transition: A Workshop on Teen Sexuality and AIDS for Youth-Serving Professionals.

ERIC Educational Resources Information Center

Deveny, Mary Alice

1993-01-01

Provides excerpts from a presentation at a librarians' continuing education workshop on teen sexuality and AIDS (Acquired Immune Deficiency Syndrome), together with participants questions and comments. Goals of an HIV (Human Immunodeficiency Virus) education program are presented, and activities for librarians are suggested. (EAM)

Developing a New Thesaurus for Art and Architecture.

ERIC Educational Resources Information Center

Petersen, Toni

1990-01-01

This description of the development of the Art and Architecture Thesaurus from 1979 to the present explains the processes and policies that were used to construct a language designed to represent knowledge in art and architecture, as well as to be a surrogate for the image and object being described. (EAM)

OCLC Looks to an Online Future: An Interview with K. Wayne Smith.

ERIC Educational Resources Information Center

Arnold, Stephen

1993-01-01

Provides an interview with K. Wayne Smith, chief executive officer of OCLC, that focuses on OCLC's online reference services. Topics include the ratio between technical and online reference services, how OCLC fits into the online industry, telecommunications, electronic publishing, pricing, database tape leases, and CD-ROM. (EAM)

Vocational Training and the Environment: Sustainability and Employment

ERIC Educational Resources Information Center

Villar, Alberto Martinez

2008-01-01

The inclusion of an Environmental Awareness Module (EAM) within Vocational Education and Training (VET) in Spain is considered a factor of overriding importance due to the current need to incorporate environmental awareness within society as a whole but also within particular occupations and professional practices involved both in jobs relating to…

PC Vendor Viability, or Whatever Happened to HiTech International?

ERIC Educational Resources Information Center

Crawford, Walt

1993-01-01

Reports on the feasibility of vendors of IBM PC compatible computers based on issues of "PC Magazine" from September 1985 to the present. Results by year are given in tabular and text form. Implications of orphan systems for libraries, advertising problems, and predictors of success are discussed. (EAM)

Technology Watch and Competitive Intelligence: A New Challenge in Education for Information.

ERIC Educational Resources Information Center

Dou, Henri; And Others

1993-01-01

Discusses the need for education of information professionals in France to change because of changing needs for scientific, technological, and economic information. The functions of technology watch and competitive intelligence based on an organization's critical success factor are shown to be important. (13 references) (EAM)

The Descriptive Challenges of Fiber Art.

ERIC Educational Resources Information Center

Lunin, Lois F.

1990-01-01

A definition of fiber art, its history, materials and techniques, vocabularies, and creators and users of those vocabularies offer background for understanding the problems in preparing surrogates of this relatively recent art form for text and image databases. Four examples of fiber image information systems are described. (32 references) (EAM)

Phonon optimized interatomic potential for aluminum

NASA Astrophysics Data System (ADS)

Muraleedharan, Murali Gopal; Rohskopf, Andrew; Yang, Vigor; Henry, Asegun

2017-12-01

We address the problem of generating a phonon optimized interatomic potential (POP) for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA) to optimize the free parameters in an empirical interatomic potential (EIP). For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT) calculations. Existing potentials for aluminum, such as the embedded atom method (EAM) and charge-optimized many-body (COMB3) potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD) simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE), employing Fermi's Golden Rule to predict the phonon-phonon relaxation times.

CoMD Implementation Suite in Emerging Programming Models

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

Haque, Riyaz; Reeve, Sam; Juallmes, Luc

CoMD-Em is a software implementation suite of the CoMD [4] proxy app using different emerging programming models. It is intended to analyze the features and capabilities of novel programming models that could help ensure code and performance portability and scalability across heterogeneous platforms while improving programmer productivity. Another goal is to provide the authors and venders with some meaningful feedback regarding the capabilities and limitations of their models. The actual application is a classical molecular dynamics (MD) simulation using either the Lennard-Jones method (LJ) or the embedded atom method (EAM) for primary particle interaction. The code can be extended tomore » support alternate interaction models. The code is expected ro run on a wide class of heterogeneous hardware configurations like shard/distributed/hybrid memory, GPU's and any other platform supported by the underlying programming model.« less

Strain-Rate Dependence of Deformation-Twinning in Tantalum

NASA Astrophysics Data System (ADS)

Abeywardhana, Jayalath; Germann, Tim; Ravelo, Ramon

2017-06-01

Large-Scale molecular dynamics (MD) simulations are used to model quasi-isentropic compression and expansion (QIC) in tantalum crystals varying the rate of deformation between the range 108 -1012s-1 and compressive pressures up to 100 GPa. The atomic interactions were modeled employing an embedded-atom method (EAM) potential of Ta. Isentropic expansion was done employing samples initially compressed to pressures of 60 and 100 GPa followed by uniaxial and quasi-isentropically expansion to zero pressure. The effect of initial dislocation density on twinning was also examined by varying the initial defect density of the Ta samples (1010 -1012cm-2). At these high-strain rates, a threshold in strain-rate on deformation twining is observed. Under expansion or compression, deformation twinning increases with strain rate for strain-rates >109s-1 . Below this value, small fraction of twins nucleates but anneal out with time. Samples with lower fraction of twins equilibrate to defect states containing higher screw dislocation densities from those with initially higher twinning fractions. This work was supported by the Department of Energy under contract DE-AC52-06NA25396 and by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-12-1-0476.

Alienation Theory: Application of a Conceptual Framework to a Study of Information among Janitors.

ERIC Educational Resources Information Center

Chatman, Elfreda A.

1990-01-01

Alienation theory was applied to a study of information behavior among 51 janitors. Results showed that they lack an informal information network because of their work schedule, and a perception that their neighbors are undesirable associates and no more informed than they are. (34 references) (EAM)

Citation Analysis of "Geochimica et Cosmochimica Acta," 1951-1960.

ERIC Educational Resources Information Center

Lifshin, Arthur

1993-01-01

A citation analysis of the first 10 years of "Geochimica et Cosmochimica Acta" from 1951 to 1960 is described. A shift from German to English language citations and the emerging importance of the journal in the field, which is undergoing a change resulting from technological innovation, are shown. Tables and graphs are included. (EAM)

An Exploration of the Professional Competencies Required in Engineering Asset Management

ERIC Educational Resources Information Center

Bish, Adelle J.; Newton, Cameron J.; Browning, Vicky; O'Connor, Peter; Anibaldi, Renata

2014-01-01

Engineering asset management (EAM) is a rapidly growing and developing field. However, efforts to select and develop engineers in this area are complicated by our lack of understanding of the full range of competencies required to perform. This exploratory study sought to clarify and categorise the professional competencies required of individuals…

Information Distribution Practices of Federal Statistical Agencies: The Census Bureau Example.

ERIC Educational Resources Information Center

Gey, Frederick C.

1993-01-01

Describes the current and historical distribution channels of the U.S. Bureau of the Census within a framework of distribution policies and practices for federal statistical information. The issues of reasonable distribution policies and the impact of technological change are discussed, and guidelines are offered. (Contains 26 references.) (EAM)

Toolbox or Adjustable Spanner? A Critical Comparison of Two Metaphors for Adaptive Decision Making

ERIC Educational Resources Information Center

Söllner, Anke; Bröder, Arndt

2016-01-01

For multiattribute decision tasks, different metaphors exist that describe the process of decision making and its adaptation to diverse problems and situations. Multiple strategy models (MSMs) assume that decision makers choose adaptively from a set of different strategies (toolbox metaphor), whereas evidence accumulation models (EAMs) hold that a…

Gender identity better than sex explains individual differences in episodic and semantic components of autobiographical memory and future thinking.

PubMed

Compère, Laurie; Rari, Eirini; Gallarda, Thierry; Assens, Adèle; Nys, Marion; Coussinoux, Sandrine; Machefaux, Sébastien; Piolino, Pascale

2018-01-01

A recently tested hypothesis suggests that inter-individual differences in episodic autobiographical memory (EAM) are better explained by individual identification of typical features of a gender identity than by sex. This study aimed to test this hypothesis by investigating sex and gender related differences not only in EAM but also during retrieval of more abstract self-knowledge (i.e., semantic autobiographical memory, SAM, and conceptual self, CS), and considering past and future perspectives. No sex-related differences were identified, but regardless of the sex, feminine gender identity was associated with clear differences in emotional aspects that were expressed in both episodic and more abstract forms of AM, and in the past and future perspectives, while masculine gender identity was associated with limited effects. In conclusion, our results support the hypothesis that inter-individual differences in AM are better explained by gender identity than by sex, extending this assumption to both episodic and semantic forms of AM and future thinking. Copyright © 2017 Elsevier Inc. All rights reserved.

EML Array fabricated by SAG technique monolithically integrated with a buried ridge AWG multiplexer

NASA Astrophysics Data System (ADS)

Xu, Junjie; Liang, Song; Zhang, Zhike; An, Junming; Zhu, Hongliang; Wang, Wei

2017-06-01

We report the fabrication of a ten channel electroabsorption modulated DFB laser (EML) array. Different emission wavelengths of the laser array are obtained by selective area growth (SAG) technique, which is also used for the integration of electroabsorption modulators (EAM) with the lasers. An arrayed waveguide grating (AWG) combiner is integrated monolithically with the laser array by butt-joint regrowth (BJR) technique. A buried ridge waveguide structure is adopted for the AWG combiner. A self aligned fabrication procedure is adopted for the fabrication of the waveguide structure of the device to eliminate the misalignment between the laser active waveguide and the passive waveguide. A Ti thin film heater is integrated for each laser in the array. With the help of the heaters, ten laser emissions with 1.8 nm channel spacing are obtained. The integrated EAM has a larger than 11 dB static extinction ratios and larger than 8 GHz small signal modulation bandwidths. The light power collected in the output waveguide of the AWG is larger than -13 dBm for each wavelength.

Small interfering RNA therapy against carbohydrate sulfotransferase 15 inhibits cardiac remodeling in rats with dilated cardiomyopathy.

PubMed

Watanabe, Kenichi; Arumugam, Somasundaram; Sreedhar, Remya; Thandavarayan, Rajarajan A; Nakamura, Takashi; Nakamura, Masahiko; Harima, Meilei; Yoneyama, Hiroyuki; Suzuki, Kenji

2015-07-01

Carbohydrate sulfotransferase 15 (CHST15) is a sulfotransferase responsible for biosynthesis of chondroitin sulfate E (CS-E), which plays important roles in numerous biological events such as biosynthesis of proinflammatory cytokines. However, the effects of CHST15 siRNA in rats with chronic heart failure (CHF) after experimental autoimmune myocarditis (EAM) have not yet been investigated. CHF was elicited in Lewis rats by immunization with cardiac myosin, and after immunization, the rats were divided into two groups and treated with either CHST15 siRNA (2μg/week) or vehicle. Age matched normal rats without immunizations were also included in this study. After 7weeks of treatment, we investigated the effects of CHST15 siRNA on cardiac function, proinflammatory cytokines, and cardiac remodeling in EAM rats. Myocardial functional parameters measured by hemodynamic and echocardiographic studies were significantly improved by CHST15 siRNA treatment in rats with CHF compared with that of vehicle-treated CHF rats. CHST15 siRNA significantly reduced cardiac fibrosis, and hypertrophy and its marker molecules (left ventricular (LV) mRNA expressions of transforming growth factor beta1, collagens I and III, and atrial natriuretic peptide) compared with vehicle-treated CHF rats. CHF-induced increased myocardial mRNA expressions of proinflammatory cytokines [interleukin (IL)-6, IL-1β], monocyte chemoattractant protein-1, and matrix metalloproteinases (MMP-2 and -9), and CHST15 were also suppressed by the treatment with CHST15 siRNA. Western blotting study has confirmed the results obtained from mRNA analysis as CHST15 siRNA treated rats expressed reduced levels of inflammatory and cardiac remodeling marker proteins. Our results demonstrate for the first time, that CHST15 siRNA treatment significantly improved LV function and ameliorated the progression of cardiac remodeling in rats with CHF after EAM. Copyright © 2015 Elsevier Inc. All rights reserved.

Functional independence within the self-memory system: new insights from two cases of developmental amnesia.

PubMed

Picard, Laurence; Mayor-Dubois, Claire; Maeder, Philippe; Kalenzaga, Sandrine; Abram, Maria; Duval, Céline; Eustache, Francis; Roulet-Perez, Eliane; Piolino, Pascale

2013-06-01

Neuropsychological and neuroimaging data suggest that the self-memory system can be fractionated into three functionally independent systems processing personal information at several levels of abstraction, including episodic memories of one's life (episodic autobiographical memory, EAM), semantic knowledge of facts about one's life (semantic autobiographical memory, SAM), and semantic knowledge of one's personality [conceptual self, (CS)]. Through the study of two developmental amnesic patients suffering of neonatal brain injuries, we explored how the different facets of the self-memory system develop when growing up with bilateral hippocampal atrophy. Neuropsychological evaluations showed that both of them suffered from dramatic episodic learning disability with no sense of recollection (Remember/Know procedure), whereas their semantic abilities differed, being completely preserved (Valentine) or not (Jocelyn). Magnetic resonance imaging, including quantitative volumetric measurements of the hippocampus and adjacent (entorhinal, perirhinal, and temporopolar) cortex, showed severe bilateral atrophy of the hippocampus in both patients, with additional atrophy of adjacent cortex in Jocelyn. Exploration of EAM and SAM according to lifetime periods covering the entire lifespan (TEMPAu task, Piolino et al., 2009) showed that both patients had marked impairments in EAM, as they lacked specificity, details and sense of recollection, whereas SAM was completely normal in Valentine, but impaired in Jocelyn. Finally, measures of patients' CS (Tennessee Self-Concept Scale, Fitts and Warren, 1996), checked by their mothers, were generally within normal range, but both patients showed a more positive self-concept than healthy controls. These two new cases support a modular account of the medial-temporal lobe with episodic memory and recollection depending on the hippocampus, and semantic memory and familiarity on adjacent cortices. Furthermore, they highlight developmental episodic and semantic functional independence within the self-memory system suggesting that SAM and CS may be acquired without episodic memories. Copyright © 2012 Elsevier Ltd. All rights reserved.

Feasibility of zero or near zero fluoroscopy during catheter ablation procedures.

PubMed

Haegeli, Laurent M; Stutz, Linda; Mohsen, Mohammed; Wolber, Thomas; Brunckhorst, Corinna; On, Chol-Jun; Duru, Firat

2018-04-03

Awareness of risks associated with radiation exposure to patients and medical staff has significantly increased. It has been reported before that the use of advanced three-dimensional electro-anatomical mapping (EAM) system significantly reduces fluoroscopy time, however this study aimed for zero or near zero fluoroscopy ablation to assess its feasibility and safety in ablation of atrial fibrillation (AF) and other tachyarrhythmias in a "real world" experience of a single tertiary care center. This was a single-center study where ablation procedures were attempted without fluoroscopy in 34 consecutive patients with different tachyarrhythmias under the support of EAM system. When transseptal puncture (TSP) was needed, it was attempted under the guidance of intracardiac echocardiography (ICE). Among 34 patients consecutively enrolled in this study, 28 (82.4%) patients were referred for radiofrequency ablation (RFA) of AF, 3 (8.8%) patients for ablation of right ventricular outflow tract (RVOT) ventricular extrasystole (VES), 1 (2.9%) patient for ablation of atrioventricular nodal reentry tachycardia (AVNRT), 2 (5.9%) patients for typical atrial flutter ablation. In 21 (62%) patients the entire procedure was carried out without the use of fluoroscopy. Among 28 AF patients, 15 (54%) patients underwent ablation without the use of fluoroscopy and among these 15 patients, 10 (67%) patients required TSP under ICE guidance while 5 (33%) patients the catheters were introduced to left atrium through a patent foramen ovale. In 13 AF patients, fluoroscopy was only required for double TSP. The total procedure time of AF ablation was 130 ± 50 min. All patients referred for atrial flutter, AVNRT, and VES of the RVOT ablation did not require any fluoroscopy. This study demonstrates the feasibility of zero or near zero fluoroscopy procedure including TSP with the support of EAM and ICE guidance in a "real world" experience of a single tertiary care center. When fluoroscopy was required, it was limited to TSP hence keeping the radiation dose very low. .

Simultaneous chromatic dispersion, polarization-mode-dispersion and OSNR monitoring at 40Gbit/s.

PubMed

Baker-Meflah, Lamia; Thomsen, Benn; Mitchell, John; Bayvel, Polina

2008-09-29

A novel method for independent and simultaneous monitoring of chromatic dispersion (CD), first-order PMD and OSNR in 40Gbit/s systems is proposed and demonstrated. This is performed using in-band tone monitoring of 5GHz, optically down-converted to a low intermediate-frequency (IF) of 10kHz. The measurement provides a large monitoring range with good accuracies for CD (4742+/-100ps/nm), differential group delay (DGD) (200+/-4ps) and OSNR (23+/-1dB), independently of the bit-rate. In addition, the use of electro-absorption modulators (EAM) for the simultaneous down-conversion of all channels and the use of low-speed detectors makes it cost effective for multi-channel operation.

Loess as an environmental archive of atmospheric trace element deposition

NASA Astrophysics Data System (ADS)

Blazina, T.; Winkel, L. H.

2013-12-01

Environmental archives such as ice cores, lake sediment cores, and peat cores have been used extensively to reconstruct past atmospheric deposition of trace elements. These records have provided information about how anthropogenic activities such as mining and fossil fuel combustion have disturbed the natural cycles of various atmospherically transported trace elements (e.g. Pb, Hg and Se). While these records are invaluable for tracing human impacts on such trace elements, they often provide limited information about the long term natural cycles of these elements. An assumption of these records is that the observed variations in trace element input, prior to any assumed anthropogenic perturbations, represent the full range of natural variations. However, records such as those mentioned above which extend back to a maximum of ~400kyr may not capture the potentially large variations of trace element input occurring over millions of years. Windblown loess sediments, often representing atmospheric deposition over time scales >1Ma, are the most widely distributed terrestrial sediments on Earth. These deposits have been used extensively to reconstruct continental climate variability throughout the Quaternary and late Neogene periods. In addition to being a valuable record of continental climate change, loess deposits may represent a long term environmental archive of atmospheric trace element deposition and may be combined with paleoclimate records to elucidate how fluctuations in climate have impacted the natural cycle of such elements. Our research uses the loess-paleosol deposits on the Chinese Loess Plateau (CLP) to quantify how atmospheric deposition of trace elements has fluctuated in central China over the past 6.8Ma. The CLP has been used extensively to reconstruct past changes of East Asian monsoon system (EAM). We present a suite of trace element concentration records (e.g. Pb, Hg, and Se) from the CLP which exemplifies how loess deposits can be used as an environmental archive to reconstruct long term natural variations in atmospheric trace element input. By comparing paleomonsoon proxy data with geochemical data we can directly correlate variations in atmospheric trace element input to fluctuations in the EAM. For example we are able to link Se input into the CLP to EAM derived precipitation. In interglacial climatic periods from 2.3-1.56Ma and 1.50-1.29Ma, we find very strong positive correlations between Se concentration and the summer monsoon index, a proxy for effective precipitation. In later interglacial periods from 1.26-0.83Ma and 0.78-0.16Ma, we find dust input plays a greater role. Our findings demonstrate that the CLP is a valuable environmental archive of atmospheric trace element deposition and suggest that other loess deposits worldwide may serve as useful records for investigating long term natural variations in atmospheric trace element cycling.

Atomistic simulation of shocks in single crystal and polycrystalline Ta

NASA Astrophysics Data System (ADS)

Bringa, E. M.; Higginbotham, A.; Park, N.; Tang, Y.; Suggit, M.; Mogni, G.; Ruestes, C. J.; Hawreliak, J.; Erhart, P.; Meyers, M. A.; Wark, J. S.

2011-06-01

Non-equilibrium molecular dynamics (MD) simulations of shocks in Ta single crystals and polycrystals were carried out using up to 360 million atoms. Several EAM and FS type potentials were tested up to 150 GPa, with varying success reproducing the Hugoniot and the behavior of elastic constants under pressure. Phonon modes were studied to exclude possible plasticity nucleation by soft-phonon modes, as observed in MD simulations of Cu crystals. The effect of loading rise time in the resulting microstructure was studied for ramps up to 0.2 ns long. Dislocation activity was not observed in single crystals, unless there were defects acting as dislocation sources above a certain pressure. E.M.B. was funded by CONICET, Agencia Nacional de Ciencia y Tecnología (PICT2008-1325), and a Royal Society International Joint Project award.

Harvest-associated disturbance in upland Ozark forests of the Missouri Ozark Forest Ecosystem Project

Treesearch

Johann N. Bruhn; James J. Wetteroff; Jeanne D. Mihail; Randy G. Jensen; James B. Pickens

2002-01-01

The Missouri Ozark Forest Ecosystem Project (MOFEP) is a long-term, multidisciplinary, landscape-based research program studying effects of even-aged (EAM), uneven-aged (UAM), and no-harvest (NHM) management on forest communities. The first MOFEP timber harvests occurred from May through November 1996. Harvest- related disturbance occurred on 69 of 180 permanent 0.2-ha...

12. VIEW OF PUMPS NO. 6, 8, AND 7 (L ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

12. VIEW OF PUMPS NO. 6, 8, AND 7 (L TO R) WITH THEIR CANVAS COVERS, LOOKING NORTHEAST. NOTE CONCRETE CONSTRUCTION. THE FOUR LIGHT WINDOWS AND THE STEEL EAM FOR THE 10-TON HAND OPERATED TRAVELING CRANE. - Wyoming Valley Flood Control System, Woodward Pumping Station, East of Toby Creek crossing by Erie-Lackawanna Railroad, Edwardsville, Luzerne County, PA

To Learn and Earn: Arizona's Unfinished Business in Human Capital

ERIC Educational Resources Information Center

Welch, Nancy

2009-01-01

Raising Arizona was the challenge of the 20th century. Sustaining Arizona is now the challenge of the 21st. A crucial part of that task is not just understanding today's knowledge economy, but mastering it. Ray and Charles Eames, the creative geniuses behind many iconic 20th century designs, debuted their film "Powers of 10" in 1977. In…

Monitoring the health of selected eastern arc forests in Tanzania

Treesearch

Seif Madoffe; Gerard D. Hertel; Paul Rodgers [Rogers; Barbra [Barbara] O' Connel; Raymond Killenga

2006-01-01

The eastern arc mountains (EAMs) are a chain of isolated mountains (534,000 ha) in Kenya and Tanzania surrounded by arid woodlands and influenced by the Indian Ocean. In 1900 there was three times the amount of forest cover there is today. Much of the original forests have been converted into agricultural crops. These mountains are recognized as a globally important...

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

NASA Technical Reports Server (NTRS)

Daw, Murray S.; Mills, Michael J.

2003-01-01

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

An improved interatomic potential for xenon in UO2: a combined density functional theory/genetic algorithm approach.

PubMed

Thompson, Alexander E; Meredig, Bryce; Wolverton, C

2014-03-12

We have created an improved xenon interatomic potential for use with existing UO2 potentials. This potential was fit to density functional theory calculations with the Hubbard U correction (DFT + U) using a genetic algorithm approach called iterative potential refinement (IPR). We examine the defect energetics of the IPR-fitted xenon interatomic potential as well as other, previously published xenon potentials. We compare these potentials to DFT + U derived energetics for a series of xenon defects in a variety of incorporation sites (large, intermediate, and small vacant sites). We find the existing xenon potentials overestimate the energy needed to add a xenon atom to a wide set of defect sites representing a range of incorporation sites, including failing to correctly rank the energetics of the small incorporation site defects (xenon in an interstitial and xenon in a uranium site neighboring uranium in an interstitial). These failures are due to problematic descriptions of Xe-O and/or Xe-U interactions of the previous xenon potentials. These failures are corrected by our newly created xenon potential: our IPR-generated potential gives good agreement with DFT + U calculations to which it was not fitted, such as xenon in an interstitial (small incorporation site) and xenon in a double Schottky defect cluster (large incorporation site). Finally, we note that IPR is very flexible and can be applied to a wide variety of potential forms and materials systems, including metals and EAM potentials.

Changes in ground layer vegetation following timber harvests on the Missouri Ozark Forest Ecosystem Project

Treesearch

Jennifer K. Grabner; Eric K. Zenner

2002-01-01

The Missouri Ozark Forest Ecosystem Project (MOFEP) is a landscape-scale experiment to test for effects of the following three common forest management practices on upland forests: 1) even-aged management (EAM), 2) uneven-aged management (UAM), and 3) no-harvest management (NHM). The first round of harvesting treatments was applied on the nine MOFEP sites in 1996. One...

Effects of Perceived Racism and Sexism on Psychological Well Being and the Moderating Effects of Identity Development among African and European American College Students.

ERIC Educational Resources Information Center

Highlen, Pamela S.; Tom, David M.; Ashton, Kathleen R.; Thompson, Kenya I.

The combined and singular effects of racism and sexism on African American females (AAF), males (AAM), and European American females (EAF) are examined with identity development as a moderator of psychological well being. Samples of AAF, AAM, EAF and a control group of European American Males (EAM) completed counterbalanced instruments that…

Shearing single crystal magnesium in the close-packed basal plane at different temperatures

NASA Astrophysics Data System (ADS)

Han, Ming; Li, Lili; Zhao, Guangming

2018-05-01

Shear behaviors of single crystal magnesium (Mg) in close-packed (0001) basal plane along the [ 1 bar 2 1 bar 0 ], [ 1 2 bar 10 ], [ 10 1 bar 0 ] and [ 1 bar 010 ] directions were studied using molecular dynamics simulations via EAM potential. The results show that both shear stress-strain curves along the four directions and the motion path of free atoms during shearing behave periodic characteristics. It reveals that the periodic shear displacement is inherently related to the crystallographic orientation in single crystal Mg. Moreover, different temperatures in a range from 10 to 750 K were considered, demonstrating that shear modulus decreases with increasing temperatures. The results agree well with the MTS model. It is manifested that the modulus is independent with the shear direction and the size of the atomic model. This work also demonstrates that the classical description of shear modulus is still effective at the nanoscale.

Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Saha, Sourav; Mojumder, Satyajit; Mahboob, Monon; Islam, M. Zahabul

2016-07-01

Tungsten is a promising material and has potential use as battery anode. Tungsten nanowires are gaining attention from researchers all over the world for this wide field of application. In this paper, we investigated effect of temperature and geometric parameters (diameter and aspect ratio) on elastic properties of Tungsten nanowire. Aspect ratios (length to diameter ratio) considered are 8:1, 10:1, and 12:1 while diameter of the nanowire is varied from 1-4 nm. For 2 nm diameter sample (aspect ratio 10:1), temperature is varied (10K ~ 1500K) to observe elastic behavior of Tungsten nanowire under uniaxial tensile loading. EAM potential is used for molecular dynamic simulation. We applied constant strain rate of 109 s-1 to deform the nanowire. Elastic behavior is expressed through stress vs. strain plot. We also investigated the fracture mechanism of tungsten nanowire and radial distribution function. Investigation suggests peculiar behavior of Tungsten nanowire in nano-scale with double peaks in stress vs. strain diagram. Necking before final fracture suggests that actual elastic behavior of the material is successfully captured through atomistic modeling.

Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

NASA Astrophysics Data System (ADS)

Yang, Liqiu

Molecular dynamics (MD) and lattice dynamics (LD) techniques are employed to investigate several phenomena related to the structure and vibrations at metal surfaces. The MD simulations are performed with the many-body interaction potentials obtained using the Embedded-Atom Method (EAM). As specific examples, we present the results for Ag(100) at 300 K and Cu(100) at 150 K, 300 K, and 600 K. The calculated frequencies and polarizations of all surface modes and resonances at the high-symmetry points in the two-dimensional Brillouin zone are in good agreement with available data, as well as, existing lattice dynamics results with force constants obtained from first-principles calculations. Our calculated surface relaxation is also in reasonable agreement with the data. We also test a much simpler lattice dynamics model with nearest neighbor central force interactions, and conclude that it can reproduce the main features of the phonon modes, but only when adjustable surface parameters are used. Additionally, the temperature dependent studies of the phonon line-widths and the mean-square displacement (MSD) of surface atoms are indicative of enhanced surface anharmonicity. On several chemisorbed metal surfaces, for which force constants are not available from first-principles calculations or the EAM, we perform lattice dynamics studies of phonon dispersion curves using simple force-constant models. These studies provide reliable mean-square displacement of surface atoms and can distinguish between possible reconstruction patterns, the results being insensitive to the exact values of the surface parameters. On c(2 times 2)S-Ni(100), it is found that the parallel component of the mean-square displacement for sulfur is around 50% larger than the vertical component, but for the mean-square displacement of oxygen atoms in the system c(2 times 2)O-Ni(100), the opposite is the case. As regards surface reconstruction, for both p(2 times 1)O-Ag(110) and p(2 times 1)O-Ni(110) surfaces, it is concluded that a substrate missing-row type reconstruction is induced by the adsorbates, but the local symmetry is C_{2v} with oxygen atoms at the long-bridge sites for the former and C_{s} with (110) being the only symmetry axis for the latter. In the above theoretical analysis, close contacts are made to many available experimental results such as surface phonon dispersion curves, interlayer relaxations, and Debye -Waller factors and adsorbate-substrate bond lengths.

Design and Development of a Package for a Diluted Waveguide Electro-Absorption Modulator

DTIC Science & Technology

2008-11-01

the coupling efficiency. A design including mechanical, optical and RF elements was developed. A Newport Laser Welding system was utilized for...results, a design including mechanical, optical and RF elements was developed. A Newport Laser Welding system was utilized for fiber placement and...fixation. The laser welding techniques were customized in order to meet the needs of the EAM package design. Keywords: Electroabsorption

Analysis of fcc metals fracture behaviour: Fracture behaviour of fcc metals: brittle/ductile behaviour criteria : with ab-initio, embedded atom and pseudopotential parameterization for Au, Ir and Al. analysis for Au, Ir and Al.

NASA Astrophysics Data System (ADS)

Gornostyrev, Yu. N.; Katsnelson, M. I.; Mryasov, Oleg N.; Freeman, A. J.; Trefilov, M. V.

1998-03-01

Theoretical analysis of the fracture behaviour of fcc Au, Ir and Al have been performed within various brittle/ductile criteria (BDC) with ab-initio, embedded atom (EAM), and pseudopotential parameterizations. We systematically examined several important aspects of the fracture behaviour: (i) dislocation structure, (ii) energetics of the cleavage decohesion and (iii) character of the interatomic interactions. Unit dislocation structures were analyzed within a two dimensional generalization of the Peierls-Nabarro model with restoring forces determined from ab-initio total energy calculations and found to be split with well defined highly mobile partials for all considered metals. We find from ab-initio and pseudopotential that in contrast with most of fcc metals, cleavage decohesion curve for Al appreciably differs from UBER relation. Finally, using ab-initio, EAM and pseudopotential parameterizations, we demonstrate that (i) Au (as a typical example of a ductile metal) is well described within existing BDC's, (ii) anomalous cleavage-like crack propagation of Ir is driven predominantly by it's high elastic modulus and (iii) Al is not described within BDC due to it's long-range interatomic interactions (and hence requires adjustments of the brittle/ductile criteria).

The role of East Asian monsoon system in shaping population divergence and dynamics of a constructive desert shrub Reaumuria soongarica

PubMed Central

Yin, Hengxia; Yan, Xia; Shi, Yong; Qian, Chaoju; Li, Zhonghu; Zhang, Wen; Wang, Lirong; Li, Yi; Li, Xiaoze; Chen, Guoxiong; Li, Xinrong; Nevo, Eviatar; Ma, Xiao-Fei

2015-01-01

Both of the uplift of Qinghai-Tibet Plateau (QTP) and the development of East Asian monsoon system (EAMS) could have comprehensively impacted the formation and evolution of Arid Central Asia (ACA). To understand how desert plants endemic to ACA responded to these two factors, we profiled the historical population dynamics and distribution range shift of a constructive desert shrub Reaumuria soongarica (Tamaricaceae) based on species wide investigation of sequence variation of chloroplast DNA and nuclear ribosomal ITS. Phylogenetic analysis uncovered a deep divergence occurring at ca. 2.96 Mya between the western and eastern lineages of R. soongarica, and ecological niche modeling analysis strongly supported that the monsoonal climate could have fragmented its habitats in both glacial and interglacial periods and impelled its intraspecific divergence. Additionally, the population from the east monsoonal zone expanded rapidly, suggesting that the local monsoonal climate significantly impacted its population dynamics. The isolation by distance tests supported strong maternal gene flow along the direction of the East Asian winter monsoon, whose intensification induced the genetic admixture along the latitudinal populations of R. soongarica. Our results presented a new case that the development of EAMS had prominently impacted the intraspecific divergence and population dynamics of this desert plant. PMID:26510579

Cooling rate dependence and local structure in aluminum monatomic metallic glass

NASA Astrophysics Data System (ADS)

Kbirou, M.; Trady, S.; Hasnaoui, A.; Mazroui, M.

2017-10-01

The local atomic structure in aluminium monatomic metallic glass is studied using molecular dynamics simulations combined with the embedded atom method (EAM). We have used a variety of analytical methods to characterise the atomic configurations of our system: the Pair Distribution Function (PDF), the Common Neighbour Analysis (CNA) and the Voronoi Tessellation Analysis. CNA was used to investigate the order change from liquid to amorphous phases, recognising that the amount of icosahedral clusters increases with the decrease of temperature. The Voronoi analysis revealed that the icosahedral-like polyhedral are the predominant ones. It has been observed that the PDF function shows a splitting in the second peak, which cannot be attributed to the only ideal icosahedral polyhedron 〈0, 0, 12, 0〉, but also to the formation of other Voronoi polyhedra 〈0, 1, 10, 2〉 . Further, the PDFs were then integrated giving the cumulative coordination number in order to compute the fractal dimension (df).

TLR4-HMGB1 signaling pathway affects the inflammatory reaction of autoimmune myositis by regulating MHC-I.

PubMed

Wan, Zemin; Zhang, Xiujuan; Peng, Anping; He, Min; Lei, Zhenhua; Wang, Yunxiu

2016-12-01

To analyze the effects of TLR4 on the expression of the HMGB1, MHC-I and downstream cytokines IL-6 and TNF-α, and to investigate the biological role of the TLR4-HMGB1 signaling pathway in the development of the autoimmune myositis. We built mice models with experimental autoimmune myositis (EAM) and used the inverted screen experiment to measure their muscle endurance; we also examined inflammatory infiltration of muscle tissues after HE staining; and we assessed the expression of MHC-I using immunohistochemistry. In addition, peripheral blood mononuclear cells (PBMC) were extracted and flow cytometry was utilized to detect the effect of IFN-γ on the expression of MHC-I. Furthermore, PBMCs were treated with IFN-γ, anti-TLR4, anti-HMGB1 and anti-MHC-I. Real-time PCR and western blotting were employed to examine the expressions of TLR4, HMGB1 and MHC-I in different groups. The ELISA method was also utilized to detect the expression of the downstream cytokines TNF-α and IL-6. The expressions of TLR4, HMGB1 and MHC-I in muscle tissues from mice with EAM were significantly higher than those in the control group (all P<0.05). After IFN-γ treatment, the expressions of TLR4, HMGB1, MHC-I, TNF-α and IL-6 in PBMCs significantly increased (all P<0.05). The treatment of anti-TLR4, anti-HMGB1 and anti-MHC-I could significantly downregulate the expression of MHC-I (all P<0.05). In addition, anti-TLR4 and anti-HMGB1 significantly reduced the expression of TNF-α and IL-6 (all P<0.05). The TLR4-HMGB1 signaling pathway affects the process of autoimmune myositis inflammation by regulating the expression of MHC-I and other pro-inflammatory cytokines. Copyright © 2016 Elsevier B.V. All rights reserved.

Identification of Combat Unit Leader Skills and Leader-Group Interaction Processes

DTIC Science & Technology

1980-01-01

Categories of human learning. New York: Academic Press, 1964. Galton , (Sir) Francis . Hereditary genius. l-itmillan and Company, London, 1879. Garland...naissance tEam was given the mission to acquire intelligence on enemy activities in a particular area of operation (Jones, 1969). The team was to avoid...contact as the mission was strictly one of gathering intelligence . The team operating in the assigned reconnaisspnce zone came upon approximately 15 NVA

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

Hu, Shenyang; Setyawan, Wahyu; Joshi, Vineet V.

Xe gas bubble superlattice formation is observed in irradiated uranium–10 wt% molybdenum (U10Mo) fuels. However, the thermodynamic properties of the bubbles (the relationship among bubble size, equilibrium Xe concentration, and bubble pressure) and the mechanisms of bubble growth and superlattice formation are not well known. In this work, molecular dynamics is used to study these properties and mechanisms. The results provide important inputs for quantitative mesoscale models of gas bubble evolution and fuel performance. In the molecular dynamics simulations, the embedded-atom method (EAM) potential of U10Mo-Xe (Smirnova et al. 2013) is employed. Initial gas bubbles with low Xe concentration aremore » generated in a U10Mo single crystal. Then Xe atom atoms are continuously added into the bubbles, and the evolution of pressure and dislocation emission around the bubbles is analyzed. The relationship between pressure, equilibrium Xe concentration, and radius of the bubbles is established. It was found that the gas bubble growth is accompanied by partial dislocation emission, which results in a star-shaped dislocation structure and an anisotropic stress field. The emitted partial dislocations have a Burgers vector along the <111> direction and a slip plane of (11-2). Dislocation loop punch-out was not observed. A tensile stress was found along <110> directions around the bubble, favoring the nucleation and formation of a face-centered cubic bubble superlattice in body-centered cubic U10Mo fuels.« less

Reconstructing Eolian Delivery to the Ulleung Basin (IODP Site U1430) Over the Past 12 Myr

NASA Astrophysics Data System (ADS)

Anderson, C. H.; Dunlea, A. G.; Murray, R. W.; Tada, R.; Alvarez Zarikian, C. A.

2017-12-01

Spring storms associated with the seasonal phases of the East Asian Monsoon (EAM), transport dust seaward and influence marine sedimentation in adjacent ocean regions. Here, we aim to track changes in the intensity of the EAM since the late Miocene by examining the relative proportions and sources of eolian inputs in marine sediment records. We use bulk sediment recovered from Site U1430 in the Ulleung Basin during Integrated Ocean Drilling Program Expedition 346 in 2013 to examine changes in the EAM over the past 12 Myr. Sediment recovered at this site is clayey silt, nannofossil and diatom oozes, claystone, and basal glauonitic sandstone. We analyze major, trace, and rare earth element concentrations for 72 bulk sediment samples analyzed by ICP-ES and ICP-MS, and interpret this dataset using a variety of multivariate statistical partitioning techniques (Q-mode Factor Analyses (QFA), Multiple Linear Regressions) to investigate sediment provenance. Sedimentologic observations and elemental concentrations indicate the presence of biogenic siliceous and carbonaceous components mixed with aluminosilicates. For example, Si/Al (g/g) reaches local maxima at 3 Ma and 10 Ma in several diatom rich sections, and Ca/Al (g/g) exhibits a peak at 0.58 Ma. Other downhole element ratios exhibit subtle variations, including Ti/Al of 0.05 +/- 0.004 g/g, Sc/Al 2 +/- 0.2 ug/g, and Rb/Al 17 +/- 1.5 ug/g. When plotted in ternary diagrams, samples exhibit offset arrays (La-Th-Sc) or multiple clusters (Zr-Nb-Sc) from an Upper Continental Crust and Mid-Ocean Ridge Basalt mixing line. In Th-Cr-Nb, the data exhibit a V-shaped array. The range of geochemical variability suggests that multiple sources of terrigenous matter and/or volcanic ash are being delivered to the site. The multivariate statistics also indicate the mixing of multiple aluminosilicate sources. Focusing on a suite of seven elements (Al, Ti, Sc, Cr, Rb, Th, La), preliminary QFA suggest that five factors are required to explain 99% of the variability in the dataset. Factors group different co-varying elements: Factor 1 Zr and Th, Factor 2 only Cr, Factor 3 Sc and La, Factor 4 Al and Sc, and Factor 5 with Rb and Th. Terrigenous inputs are likely from several sources including loess and other continental crustal material, and will be discussed further.

Provenance Changes Over Glacial-Interglacial Timescales Recorded in Japan Sea Sediments (IODP Site U1430)

NASA Astrophysics Data System (ADS)

Kinsley, C. W.; McGee, D.; Anderson, C. H.; Murray, R. W.; Tada, R.; Alvarez Zarikian, C. A.

2017-12-01

Recent work has shown a mechanistic relationship between the Westerly Jet (WJ) and East Asian Monsoon (EAM) precipitation, as migration of the WJ to the northern edge of the Tibetan Plateau during spring and early summer appears to be essential for driving convective rainfall over eastern China. Chiang et al. (2015) has proposed the "Jet Transition Hypothesis" wherein it is put forward that changes to the seasonal meridional position of the WJ relative to the Tibetan Plateau drives rainfall climate changes over East Asia on paleoclimate timescales. This hypothesis would predict that in extreme scenarios such as cold phases of Dansgaard-Oeschger (D-O) stadials and during periods of low Northern Hemisphere summer insolation that the Jet would not move north of the Tibetan Plateau, keeping East Asia in prolonged spring conditions. Conversely, during periods of high Northern Hemisphere summer insolation it would be predicted that the Jet would move more quickly north of the Tibetan Plateau and remain there longer, keeping East Asia in prolonged summer conditions. Westerly Jet behavior can be reconstructed using sediments from the Japan Sea, as the WJ path and intensity determines dust emissions and transport paths from Chinese and Mongolian dust source areas, which is the primary source of terrigenous material to the Japan Sea. Radiogenic isotopes of Pb, Nd and Sr can be been applied to fingerprint the dust sources from Asia, and measurements of these isotopes downcore in the Japan Sea will allow reconstruction of the changing dust source area and thus behavior of the WJ. By coupling dust reconstructions lending insight to the behavior of the Westerly Jet with complementary records reflecting EAM intensity and precipitation distribution, the mean state and variability of the WJ and its coupling with the EAM can be examined. This study will measure a suite of samples for Pb, Nd and Sr isotopes from IODP Site U1430 over glacial-interglacial timescales, allowing detailed insights into changes in eolian sediment source regions in the Japan Sea and laying a foundation for future work examining millennial- and orbital-scale variability. Chiang, J.C.H., et al. 2015. Role of Seasonal Transitions and Westerly Jets in East Asian Paleoclimate, QSR, 108, 111-129.

Nanodroplet impact onto solid platinum surface: Spreading and bouncing

NASA Astrophysics Data System (ADS)

Lussier, Daniel; Ventikos, Yiannis

2009-11-01

The impact of droplets onto solid surfaces is found in a huge variety of natural and technological applications, from rain drops splashing on the pavement, to material manufacturing by molten droplet deposition. Taking inspiration from existing microfluidic technologies (i.e. lab-on-chip), there is increasing interest in the use of nanodroplets (D < 100 nm) for a number of applications such as drug delivery and semiconductor device manufacturing. However, as the size of the droplet is reduced into the nanoscale, the direct use of previously obtained macroscopic results is not guaranteed. At the nanoscale, important effects due to the molecular nature of the fluid, thermal fluctuations and reduced dimensionality can play a critical role in determining system dynamics. In this paper we present the results of large-scale, fully atomistic, three-dimensional molecular dynamics (MD) simulation of an argon nanodroplet (D = 18 nm, 54 000 atoms) impact onto a solid platinum surface, using the LAMMPS software package. The fluid argon is modeled using the well-known Lennard-Jones (LJ) potential, while the embedded-atom model (EAM) potential is used for the solid platinum. By varying both the impact velocities (10-1000 m/s) and the wettability of the solid surface a wide range of impact behaviors is observed, from smooth spreading, to bouncing recoil, pointing towards a wide array of potential applications.

Requirement for Pathogenic IL-23 Signaling Is Restricted to Initiation of Autoimmune Myocarditis

PubMed Central

Wu, Lei; Diny, Nicola L.; Ong, SuFey; Barin, Jobert G.; Hou, Xuezhou; Rose, Noel R.; Talor, Monica V.; Čiháková, Daniela

2016-01-01

Using a mouse model of experimental autoimmune myocarditis (EAM), we showed for the first time that IL-23 stimulation of CD4+ T cells is required only briefly at the initiation of GM-CFS-dependent cardiac autoimmunity. IL-23 signal, acting as a switch, turns on pathogenicity of CD4+ T cells, and becomes dispensable once autoreactivity is established. Il23a−/− mice failed to mount an efficient Th17 response to immunization, and were protected from myocarditis. However, remarkably, transient IL-23 stimulation ex vivo fully restored pathogenicity in otherwise nonpathogenic CD4+ T cells raised from Il23a−/− donors. Thus, IL-23 may no longer be necessary to uphold inflammation in established autoimmune diseases. In addition, we demonstrated that IL-23 induced GM-CSF mediates the pathogenicity of CD4+ T cells in EAM. The neutralization of GM-CSF abrogated cardiac inflammation. However, sustained IL-23 signaling is required to maintain IL-17A production in CD4+ T cells. Despite inducing inflammation in Il23a−/− recipients comparable to WT, autoreactive CD4+ T cells downregulated IL-17A production without persistent IL-23 signaling. This divergence on the controls of GM-CSF-dependent pathogenicity on one side and IL-17A production on the other side may contribute to the discrepant efficacies of anti-IL-23 therapy in different autoimmune diseases. PMID:26660726

Macrophages and cardiac fibroblasts are the main producers of eotaxins and regulate eosinophil trafficking to the heart

PubMed Central

Diny, Nicola L.; Hou, Xuezhou; Barin, Jobert G.; Chen, Guobao; Talor, Monica V.; Schaub, Julie; Russell, Stuart D.; Klingel, Karin; Rose, Noel R.; Čiháková, Daniela

2016-01-01

Cardiac manifestations are a major cause of morbidity and mortality in patients with eosinophil-associated diseases. Eosinophils are thought to play a pathogenic role in myocarditis. We investigated the pathways that recruit eosinophils to the heart using a model of eosinophilic myocarditis, in which experimental autoimmune myocarditis (EAM) is induced in IFNγ−/−IL-17A−/− mice. Two conditions are necessary for efficient eosinophil trafficking to the heart: high eotaxin (CCL11, CCL24) expression in the heart and expression of the eotaxin receptor CCR3 by eosinophils. We identified cardiac fibroblasts as the source of CCL11 in the heart interstitium. CCL24 is produced by F4/80+ macrophages localized at inflammatory foci in the heart. Expression of CCL11 and CCL24 is controlled by Th2 cytokines, IL-4 and IL-13. To determine the relevance of this pathway in humans, we analyzed endomyocardial biopsy samples from myocarditis patients. Expression of CCL11 and CCL26 was significantly increased in eosinophilic myocarditis compared to chronic lymphocytic myocarditis and positively correlated with the number of eosinophils. Thus, eosinophil trafficking to the heart is dependent on the eotaxin-CCR3 pathway in a mouse model of EAM and associated with cardiac eotaxin expression in patients with eosinophilic myocarditis. Blocking this pathway may prevent eosinophil-mediated cardiac damage. PMID:27621211

Thermal transpiration: A molecular dynamics study

NASA Astrophysics Data System (ADS)

T, Joe Francis; Sathian, Sarith P.

2014-12-01

Thermal transpiration is a phenomenon where fluid molecules move from the cold end towards the hot end of a channel under the influence of longitudinal temperature gradient alone. Although the phenomenon of thermal transpiration is observed at rarefied gas conditions in macro systems, the phenomenon can occur at atmospheric pressure if the characteristic dimensions of the channel is less than 100 nm. The flow through these nanosized channels is characterized by the free molecular flow regimes and continuum theory is inadequate to describe the flow. Thus a non-continuum method like molecular dynamics (MD) is necessary to study such phenomenon. In the present work, MD simulations were carried out to investigate the occurance of thermal transpiration in copper and platinum nanochannels at atmospheric pressure conditions. The mean pressure of argon gas confined inside the nano channels was maintained around 1 bar. The channel height is maintained at 2nm. The argon atoms interact with each other and with the wall atoms through the Lennard-Jones potential. The wall atoms are modelled using an EAM potential. Further, separate simulations were carried out where a Harmonic potential is used for the atom-atom interaction in the platinum channel. A thermally insulating wall was introduced between the low and high temperature regions and those wall atoms interact with fluid atoms through a repulsive potential. A reduced cut off radius were used to achieve this. Thermal creep is induced by applying a temperature gradient along the channel wall. It was found that flow developed in the direction of the increasing temperature gradient of the wall. An increase in the volumetric flux was observed as the length of the cold and the hot regions of the wall were increased. The effect of temperature gradient and the wall-fluid interaction strength on the flow parameters have been studied to understand the phenomenon better.

A major change in precipitation gradient on the Chinese Loess Plateau at the Pliocene-Quaternary boundary

NASA Astrophysics Data System (ADS)

Peng, Wenbin; Nie, Junsheng; Wang, Zhao; Qiang, Xiaoke; Garzanti, Eduardo; Pfaff, Katharina; Song, Yougui; Stevens, Thomas

2018-04-01

Spatiotemporal variations in East Asian Monsoon (EAM) precipitation during the Quaternary have been intensively studied. However, spatial variations in pre-Quaternary EAM precipitation remain largely uninvestigated, preventing a clear understanding of monsoon dynamics during a warmer climatic period. Here we compare the spatial differences in heavy mineral assemblages between Quaternary loess and pre-Quaternary Red Clay on the Chinese Loess Plateau (CLP) to analyze spatial patterns in weathering. Prior studies have revealed that unstable hornblende is the dominant (∼50%) heavy mineral in Chinese loess deposited over the past 500 ka, whereas hornblende content decreases to <10% in strata older than ∼1 Ma in the central CLP because of diagenesis. In the present study we found that hornblende is the dominant heavy mineral in 2-2.7 Ma loess on the northeastern CLP (at Jiaxian), which today receives little precipitation. Conversely, hornblende content in the upper Miocene-Pliocene Red Clay at Jiaxian is <10%, as in the central CLP. The early Quaternary abundance of hornblende at Jiaxian indicates that the current northwestward-decreasing precipitation pattern and consequent dry climate at Jiaxian must have been initiated since ∼2.7 Ma, preventing hornblende dissolution to amounts <10% as observed in the central CLP. By contrast, the 7 Ma and 3 Ma Jiaxian Red Clay hornblende content is significantly less than that of the Xifeng samples, despite the fact that today Xifeng receives more precipitation than Jiaxian, with expected enhanced hornblende weathering. This suggests that the northeastern CLP received more precipitation during the Late Miocene-Pliocene than at Xifeng, indicating that the precipitation gradient on the CLP was more east-west during the Late Miocene-Pliocene rather than northwest-southeast as it was in the Quaternary. A comparison of magnetic susceptibility records for these sections confirms this inference. We attribute this major change in climatic patterns at ∼2.7 Ma to decreased northward moisture transportation associated with Northern Hemisphere glaciation and cooling in the Quaternary. This study therefore demonstrates the potential usefulness of employing heavy mineral analysis in both paleoclimatic and paleooceanographic reconstructions.

Interface structure and contact melting in AgCu eutectic. A molecular dynamics study

NASA Astrophysics Data System (ADS)

Bystrenko, O.; Kartuzov, V.

2017-12-01

Molecular dynamics simulations of the interface structure in binary AgCu eutectic were performed by using the realistic EAM potential. In simulations, we examined the time dependence of the total energy in the process of equilibration, the probability distributions, the composition profiles for the components, and the component diffusivities within the interface zone. It is shown that the relaxation to the equilibrium in the solid state is accompanied by the formation of the steady disordered diffusion zone at the boundary between the crystalline components. At higher temperatures, closer to the eutectic point, the increase in the width of the steady diffusion zone is observed. The particle diffusivities grow therewith to the numbers typical for the liquid metals. Above the eutectic point, the steady zone does not form, instead, the complete contact melting in the system occurs. The results of simulations indicate that during the temperature increase the phenomenon of contact melting is preceded by the similar process spatially localized in the vicinity of the interface.

Atomistic modeling of carbon Cottrell atmospheres in bcc iron

NASA Astrophysics Data System (ADS)

Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

2013-01-01

Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

Sensory-Feedback Exoskeletal Arm Controller

NASA Technical Reports Server (NTRS)

An, Bin; Massie, Thomas H.; Vayner, Vladimir

2004-01-01

An electromechanical exoskeletal arm apparatus has been designed for use in controlling a remote robotic manipulator arm. The apparatus, called a force-feedback exoskeleton arm master (F-EAM) is comfortable to wear and easy to don and doff. It provides control signals from the wearer s arm to a robot arm or a computer simulator (e.g., a virtual-reality system); it also provides force and torque feedback from sensors on the robot arm or from the computer simulator to the wearer s arm. The F-EAM enables the wearer to make the robot arm gently touch objects and finely manipulate them without exerting excessive forces. The F-EAM features a lightweight design in which the motors and gear heads that generate force and torque feedback are made smaller than they ordinarily would be: this is achieved by driving the motors to power levels greater than would ordinarily be used in order to obtain higher torques, and by providing active liquid cooling of the motors to prevent overheating at the high drive levels. The F-EAM (see figure) includes an assembly that resembles a backpack and is worn like a backpack, plus an exoskeletal arm mechanism. The FEAM has five degrees of freedom (DOFs) that correspond to those of the human arm: 1. The first DOF is that of the side-to-side rotation of the upper arm about the shoulder (rotation about axis 1). The reflected torque for this DOF is provided by motor 1 via drum 1 and a planar four-bar linkage. 2. The second DOF is that of the up-and-down rotation of the arm about the shoulder. The reflected torque for this DOF is provided by motor 2 via drum 2. 3. The third DOF is that of twisting of the upper arm about its longitudinal axis. This DOF is implemented in a cable remote-center mechanism (CRCM). The reflected torque for this DOF is provided by motor 3, which drives the upper-arm cuff and the mechanism below it. A bladder inflatable by gas or liquid is placed between the cuff and the wearer s upper arm to compensate for misalignment between the exoskeletal mechanism and the shoulder. 4. The fourth DOF is that of flexion and extension of the elbow. The reflected torque for this DOF is provided by motor 4 and drum 4, which are mounted on a bracket that can slide longitudinally by a pin-and-slot engagement with the upper-arm cuff to compensate for slight variations in the position of the kinematic center of the elbow. Attached to drum 4 is an adapter plate to which is attached a CRCM for the lower arm. 5. The lower-arm CRCM implements the fifth DOF, which is the twist of the forearm about its longitudinal axis. Motor 5 provides the reflected torque for this DOF by driving the lower-arm cuff. A rod transmits twist and torsion between the lower-arm cuff and the hand cuff. With this system, the motion of the wearer s joints and the reflected torques applied to these joints can be measured and controlled in a relatively simple manner. This is because the anthropomorphic design of the mechanism imitates the kinematics of the human arm, eliminating the need for kinematic conversion of joint-torque and joint-angle data.

A novel simultaneous demultiplexing and clock recovery unit for high speed OTDM system

NASA Astrophysics Data System (ADS)

Zhong, Kangping; Jia, Nan; Li, Tangjun; Wang, Muguang; Chi, Jianfeng; Sun, Jian; Wang, Jingtian

2010-11-01

In this letter, a novel simultaneous demultiplexing and clock recovery unit based on EAMs and clock recovery module is presented and experimentally demonstrated for a high speed OTDM system. The 10GHz clock signal with low jitter is extracted from 80Gbit/s and 160Gbit/s OTDM signal, and every channel of the OTDM signal is successfully demultiplexed using this unit. The power penalty is lower than 3dB at BER of 10-9.

Wind Tunnel Tests of the Space Shuttle Foam Insulation with Simulated Debonded Regions

DTIC Science & Technology

1981-04-01

set identification number Gage sensitivity Calculated gage sen8itivity 82 = Sl * f(TGE) Material specimen identification designation Free-stream...ColoY motion pictures (2 cameras) and pre- and posttest color stills recorded ariy changes "in the samples. The movie cameras were operated at...The oBli ~ue shock wave generated by the -wedge reduces the free-stream Mach nut1ber to the desired local Mach number. Since the free=sti’eam

Metals Subcommittee Report - Manufacturing Technology Advisory Group.

DTIC Science & Technology

1980-01-01

Electric Co, Mr. K. W. Stalker Abex Corp, Mr. W. R. Matschulat TRW Equipment, Mr. John McCarthy General Electric Co, Mr. A. I. Bellin General Electric...Code 6721C Philadelphia, PA 19112 Philadelphia, PA 19112 AV 443-3991, 215-755-3991 AV 443-3285, 215-755-3285 Mr. Howard Miller Mr. Joseph Glatz NAVAIR...DRXIB-MT 793-6586 John Melonas DRSMI-EAM 746-1902 GiovanAi Silvestri NUSC Newport 948-2617 Fred Miller AFML/LTM 785-5037 Howard Miller NAVAIR AIR-5162

Dislocation and Structural Studies at Metal-Metallic Glass Interface at Low Temperature

NASA Astrophysics Data System (ADS)

Gupta, Pradeep; Yedla, Natraj

2017-12-01

In this paper, molecular dynamics (MD) simulation deformation studies on the Al (metal)-Cu50Zr50 (metallic glass) model interface is carried out based on cohesive zone model. The interface is subjected to mode-I loading at a strain rate of 109 s-1 and temperature of 100 K. The dislocations reactions and evolution of dislocation densities during the deformation have been investigated. Atomic interactions between Al, Cu and Zr atoms are modeled using EAM (embedded atom method) potential, and a timestep of 0.002 ps is used for performing the MD simulations. A circular crack and rectangular notch are introduced at the interface to investigate the effect on the deformation behavior and fracture. Further, scale size effect is also investigated. The structural changes and evolution of dislocation density are also examined. It is found that the dominant deformation mechanism is by Shockley partial dislocation nucleation. Amorphization is observed in the Al regions close to the interface and occurs at a lower strain in the presence of a crack. The total dislocation density is found to be maximum after the first yield in both the perfect and defect interface models and is highest in the case of perfect interface with a density of 6.31 × 1017 m-2. In the perfect and circular crack defect interface models, it is observed that the fraction of Shockley partial dislocation density decreases, whereas that of strain rod dislocations increases with increase in strain.

Qualitative assessment of climate-driven ecological shifts in the Caspian Sea

PubMed Central

Beyraghdar Kashkooli, Omid; Gröger, Joachim; Núñez-Riboni, Ismael

2017-01-01

The worldwide occurrence of complex climate-induced ecological shifts in marine systems is one of the major challenges in sustainable bio-resources management. The occurrence of ecological environment-driven shifts was studied in the Southern Caspian Sea using the “shiftogram” method on available fisheries-related (i.e. commercially important bentho-pelagic fish stocks) ecological and climatic variables. As indicators of potential environmentally driven shift patterns we used indices for the North Atlantic Oscillation, the Southern Oscillation, the Siberian High, the East Atlantic-West Russia pattern, as well as Sea Surface Temperature and surface chlorophyll-a concentration. Given the explorative findings from the serial shift analyses, the cascading and serial order of multiple shift events in climatic-ecologic conditions of the southern Caspian Sea suggested a linkage between external forces and dynamics of ecosystem components and structures in the following order: global-scale climate forces lead to local environmental processes, which in turn lead to biological components dynamics. For the first time, this study indicates that ecological shifts are an integral component of bentho-pelagic subsystem regulatory processes and dynamics. Qualitative correspondence of biological responses of bentho-pelagic stocks to climatic events is one of the supporting evidences that overall Caspian ecosystem structures and functioning might have–at least partially–been impacted by global-scale climatic or local environmental shifts. These findings may help to foster a regional Ecosystem-based Approach to Management (EAM) as an integral part of bentho-pelagic fisheries management plans. PMID:28475609

Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten

NASA Astrophysics Data System (ADS)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-02-01

The prismatic dislocation loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, size and depth of the loop in the foil, they can escape to the free surface, thus invalidating TEM observations and conclusions. In this article small prismatic hexagonal and circular dislocation loops in tungsten with the Burgers vectors 1/2 〈 1 1 1 〉 and 〈 1 0 0 〉 are studied by molecular statics simulations using three embedded atom method (EAM) potentials. The calculated image forces are compared to known elastic solutions. A particular attention is paid to the critical stress to move edge dislocations. The escape of the loop to the free surface is quantified by a combination of atomistic simulations and elastic calculations. For example, for the 1/2 〈 1 1 1 〉 loop with diameter 7.4 nm in a 55 nm thick foil we calculated that about one half of the loops will escape to the free surface. This implies that TEM observations detect only approx. 50% of the loops that were originally present in the foil.

Gigascale Silicon Photonic Transmitters Integrating HBT-based Carrier-injection Electroabsorption Modulator Structures

NASA Astrophysics Data System (ADS)

Fu, Enjin

Demand for more bandwidth is rapidly increasing, which is driven by data intensive applications such as high-definition (HD) video streaming, cloud storage, and terascale computing applications. Next-generation high-performance computing systems require power efficient chip-to-chip and intra-chip interconnect yielding densities on the order of 1Tbps/cm2. The performance requirements of such system are the driving force behind the development of silicon integrated optical interconnect, providing a cost-effective solution for fully integrated optical interconnect systems on a single substrate. Compared to conventional electrical interconnect, optical interconnects have several advantages, including frequency independent insertion loss resulting in ultra wide bandwidth and link latency reduction. For high-speed optical transmitter modules, the optical modulator is a key component of the optical I/O channel. This thesis presents a silicon integrated optical transmitter module design based on a novel silicon HBT-based carrier injection electroabsorption modulator (EAM), which has the merits of wide optical bandwidth, high speed, low power, low drive voltage, small footprint, and high modulation efficiency. The structure, mechanism, and fabrication of the modulator structure will be discussed which is followed by the electrical modeling of the post-processed modulator device. The design and realization of a 10Gbps monolithic optical transmitter module integrating the driver circuit architecture and the HBT-based EAM device in a 130nm BiCMOS process is discussed. For high power efficiency, a 6Gbps ultra-low power driver IC implemented in a 130nm BiCMOS process is presented. The driver IC incorporates an integrated 27-1 pseudo-random bit sequence (PRBS) generator for reliable high-speed testing, and a driver circuit featuring digitally-tuned pre-emphasis signal strength. With outstanding drive capability, the driver module can be applied to a wide range of carrier injection modulators and light-emitting diodes (LED) with drive voltage requirements below 1.5V. Measurement results show an optical link based on a 70MHz red LED work well at 300Mbps by using the pre-emphasis driver module. A traveling wave electrode (TWE) modulator structure is presented, including a novel design methodology to address process limitations imposed by a commercial silicon fabrication technology. Results from 3D full wave EM simulation demonstrate the application of the design methodology to achieve specifications, including phase velocity matching, insertion loss, and impedance matching. Results show the HBT-based TWE-EAM system has the bandwidth higher than 60GHz.

Re-Engineering the United States Marine Corps’ Enlisted Assignment Model (EAM)

DTIC Science & Technology

1998-06-01

and Execution button opens the switchboard in Figure 12. This form accesses all of the VBA code that is associated with this form and the code that...the prototype to prompt the user and to inform him of what he is about to do. Each of the buttons that are on these forms is connected to an SQL ...into the field for building a rule are the values 2;3;4;5;6;7. The user can enter an SQL statement that would determine the values or the user could

Real-Time Implementation of Nonlinear Optical Processing Functions.

DTIC Science & Technology

1986-09-30

information capacity) with the nonlinear error correction properties of associative neural nets such as the Hopfield model. Analogies between holography...symnolic ma.Ip’:ation Th.e error correcting -apart" :ty of non" ;n-ar associative merTtnies is necessary for s’uch structu-res Experimerta. results... geometrica snapes in contact ’A,.n a c-:’:ser ’Figure 51a’ ., and a spher:cal 4:verg.ng reference -eam Upion :"um’latlon of t -" c-’gram by the object beam

Linkages between the South and East Asian summer monsoons: a review and revisit

NASA Astrophysics Data System (ADS)

Ha, Kyung-Ja; Seo, Ye-Won; Lee, June-Yi; Kripalani, R. H.; Yun, Kyung-Sook

2017-07-01

The relationship between the South Asia monsoon (SAM) and the East Asia monsoon (EAM) possibly modulated by both external forcings and internal dynamics has been a long-standing and controversial issue in climate sciences. This study reviews their linkages as revealed in modern records and model simulations during the past, present and future, and provides a comprehensive explanation of the key mechanisms controlling the diversity of the SAM-EAM relationship. Particular attention is paid to several external forcings that modulate the relationship, including El Niño and Southern Oscillation, Indian Ocean Dipole mode (IODM), boreal summer teleconnections, and Eurasian snow extent on intraseasonal to interdecadal timescales. The major focus is placed on two integral views of the inter-connection between the two monsoon systems: one is the positive inter-correlation, which is associated with decaying El Niño and developing Indian Ocean sea surface temperature (SST) warming anomalies; the other is the negative inter-correlation, resulting from developing El Niño and western Pacific SST cooling. The IODM mode also has a delayed impact on the negative connection by modulating Eurasian snow cover. The observed evidence reveals that the recent intensification of the negative relationship is attributable to the strengthening of the zonal SST gradient along the Indian Ocean, western Pacific, and eastern Pacific. Analysis of experiments in the fifth phase of the Coupled Model Intercomparison Project further indicates a possibility for the negative linkage to be further enhanced under anthropogenic global warming with considerable interdecadal modulation in mid and late twenty-first century.

Design of a graphene-based dual-slot hybrid plasmonic electro-absorption modulator with high-modulation efficiency and broad optical bandwidth for on-chip communication.

PubMed

Wu, Zhongwei; Xu, Yin

2018-04-20

The hybrid plasmonic effect with lower loss and comparable light confinement than surface plasmon polariton opens new avenues for strengthening light-matter interactions with low loss. Here, we propose and numerically analyze a graphene-based electro-absorption modulator (EAM) with high-modulation efficiency and broad optical bandwidth using a dual-slot hybrid plasmonic waveguide (HPW), which consists of a central dual-slot HPW connected with two taper transitions and two additional dual-slot HPWs for coupling it with the input and output silicon nanowires, where graphene layers are located at the bottom and top side of the whole dual-slot HPW region. By combining the huge light enhancement effect of the dual-slot HPW and graphene's tunable conductivity, we obtain a high-modulation efficiency (ME) of 1.76 dB/μm for the graphene-based dual-slot HPW (higher ME of 2.19 dB/μm can also be obtained). Based upon this promising result, we further design a graphene-based hybrid plasmonic EAM, achieving a modulation depth (MD) of 15.95 dB and insertion loss of 1.89 dB @1.55 μm, respectively, in a total length of only 10 μm, where its bandwidth can reach over 500 nm for keeping MD>15  dB; MD can also be improved by slightly increasing the device length or shrinking the waveguide thickness, showing strong advantages for applying it into on-chip high-performance silicon modulators.

Are high flow nasal cannulae noisier than bubble CPAP for preterm infants?

PubMed

Roberts, C T; Dawson, J A; Alquoka, E; Carew, P J; Donath, S M; Davis, P G; Manley, B J

2014-07-01

Noise exposure in the neonatal intensive care unit is believed to be a risk factor for hearing loss in preterm neonates. Continuous positive airway pressure (CPAP) devices exceed recommended noise levels. High flow nasal cannulae (HFNC) are an increasingly popular alternative to CPAP for treating preterm infants, but there are no in vivo studies assessing noise production by HFNC. To study whether HFNC are noisier than bubble CPAP (BCPAP) for preterm infants. An observational study of preterm infants receiving HFNC or BCPAP. Noise levels within the external auditory meatus (EAM) were measured using a microphone probe tube connected to a calibrated digital dosimeter. Noise was measured across a range of frequencies and reported as decibels A-weighted (dBA). A total of 21 HFNC and 13 BCPAP noise measurements were performed in 21 infants. HFNC gas flows were 2-5 L/min, and BCPAP gas flows were 6-10 L/min with set pressures of 5-7 cm of water. There was no evidence of a difference in average noise levels measured at the EAM: mean difference (95% CI) of -1.6 (-4.0 to 0.9) dBA for HFNC compared to BCPAP. At low frequency (500 Hz), HFNC was mean (95% CI) 3.0 (0.3 to 5.7) dBA quieter than BCPAP. Noise increased with increasing BCPAP gas flow (p=0.007), but not with increasing set pressure. There was a trend to noise increasing with increasing HFNC gas flows. At the gas flows studied, HFNC are not noisier than BCPAP for preterm infants.

Lightweight Disk Alloy Development

DTIC Science & Technology

1991-04-01

11 (tested parallel to the 540 (1000) 759 (110) 36 extrusi ) n direction) 760 (1400) 348 (51) 113 870 (1600) 143 (21) N /A Ni-29 Al-21 Co 20 (68) 754...security considerations, contractual obligations, or notice on a specific document. sEamTy F SF I& RISM m1Ya ICCUR * rm n n ARNMM 2L SQIXM AUD~M IOm a...061on ~iJIOF REPM~ IAFFWJ 2tp.- C IF n a ’ lS#)MSC 4. PEWORMIMG AM&ATINRMM &. MOPE1IIG 3.... -100 REPORT NI5MRIS FR21413 WDC-TR-S0-4125 Es. NAME( OF EIvkG

Combat Aircraft Noise held in Bonn, Germany on 23-25 October 1991 (Le Bruit Genere par les Avions de Combat)

DTIC Science & Technology

1992-04-01

study suggeet that the penalty in needed Important factors see"m to be the onset but it may be neceesary to extend the rate of the flyovers. In aerieas...the average will underestimate the impcat at laboratOry studies the onset and decay those operations. These two factors . rates have the eams level at...events st a SEL of 115 studies and found that fundamentally all dO gives an Leq(8h) of 88 d8 while Oil tended to support a 10 LagioN event factor events

The validation and preference among different EAM potentials to describe the solid-liquid transition of aluminum

NASA Astrophysics Data System (ADS)

Jiang, Yewei; Luo, Jie; Wu, Yongquan

2017-06-01

Empirical potential is vital to the classic atomic simulation, especially for the study of phase transitions, as well as the solid-interface. In this paper, we attempt to set up a uniform procedure for the validation among different potentials before the formal simulation study of phase transitions of metals. Two main steps are involved: (1) the prediction of the structures of both solid and liquid phases and their mutual transitions, i.e. melting and crystallization; (2) the prediction of vital thermodynamic (the equilibrium melting point at ambient pressure) and dynamic properties (the degrees of superheating and undercooling). We applied this procedure to the testing of seven published embedded-atom potentials (MKBA (Mendelev et al 2008 Philos. Mag. 88 1723), MFMP (Mishin et al 1999 Phys. Rev. B 59 3393), MDSL (Sturgeon and Laird 2000 Phys. Rev. B 62 14720), ZM (Zope and Mishin 2003 Phys. Rev. B 68 024102), LEA (Liu et al 2004 Model. Simul. Mater. Sci. Eng. 12 665), WKG (Winey et al 2009 Model. Simul. Mater. Sci. Eng. 17 055004) and ZJW (Zhou et al 2004 Phys. Rev. B 69 144113)) for the description of the solid-liquid transition of Al. All the predictions of structure, melting point and superheating/undercooling degrees were compared with the experiments or theoretical calculations. Then, two of them, MKBA and MDSL, were proven suitable for the study of the solid-liquid transition of Al while the residuals were unqualified. However, potential MKBA is more accurate to predict the structures of solid and liquid, while MDSL works a little better in the thermodynamic and dynamic predictions of solid-liquid transitions.

Early Patient Access to Medicines: Health Technology Assessment Bodies Need to Catch Up with New Marketing Authorization Methods.

PubMed

Leyens, Lada; Brand, Angela

National and international medicines agencies have developed innovative methods to expedite promising new medicines to the market and facilitate early patient access. Some of these approval pathways are the conditional approval and the adaptive pathways by the European Medicines Agency (EMA); the Promising Innovative Medicine (PIM) designation and the Early Access to Medicines Scheme (EAMS) by the Medicines and Healthcare Products Regulatory Agency (MHRA), as well as the Fast Track, Breakthrough or Accelerated Approval methods by the Food and Drug Administration (FDA). However, at least in Europe, these methods cannot achieve the goal of improving timely access for patients to new medicines on their own; the reimbursement process also has to become adaptive and flexible. In the past 2 years, the effective access (national patient access) to newly approved oncology drugs ranged from 1 to 30 months, with an extremely high variability between European countries. The goal of early patient access in Europe can only be achieved if the national health technology assessment bodies, such as NICE (ENG), HAS (FR), G-BA (DE) or AIFA (IT), provide harmonized, transparent, flexible, conditional and adaptive methods that adopt the level of evidence accepted by the medicines agencies. The efforts from medicines agencies are welcome but will be in vain if health technology assessments do not follow with similar initiatives, and the European 'postcode' lottery will continue. © 2016 S. Karger AG, Basel.

Association of complement factor B allotypes and serum biomarkers in rheumatoid arthritis patients and their relatives.

PubMed

Nass, F R; Skare, T L; Goeldner, I; Nisihara, R; Messias-Reason, I J; Utiyama, S R R

2015-12-01

The aim of the study was to investigate the allotypic variability of complement factor B (BF) in patients and relatives with rheumatoid arthritis (RA) and its association with serological biomarkers and clinical features of the disease. BF allotypes were determined by high-voltage agarose gel electrophoresis in serum samples of 180 patients with RA, 198 relatives and 98 controls from Southern Brazil. Anticyclic citrullinated peptide (anti-CCP), antimutated citrullinated vimentin (anti-MCV) and IgA-rheumatoid factor (RF) were determined by ELISA and IgM-RF by latex agglutination in all samples. No significant differences were found in the allotypic variants of BF between patients with RA, relatives and controls, nor associations with gender and age of RA onset. BF*S07 allotype was significantly associated with extra-articular manifestations (EAMs; Secondary Sjögren Syndrome, pneumonitis, rheumatoid nodules) in patients with RA (P = 0.02; OR = 6.62). Patients with phenotype BF F had lower positivity for anti-MCV biomarker (P = 0.02; OR = 0.22) and those with allotype BF*S had higher prevalence of this autoantibody (P = 0.02; OR = 3.77). An increased frequency of RF-IgA was detected in relatives of patients with RA with BF FS07 phenotype (P = 0.02; OR = 7.78). Complement BF variability did not influence the development of RA in the studied patients, but BF variants may act as markers of disease prognosis, such as development of EAMs, corroborating with the role of the alternative pathway in the pathogenesis of RA. © 2015 John Wiley & Sons Ltd.

112 Gb/s sub-cycle 16-QAM Nyquist-SCM for intra-datacenter connectivity

NASA Astrophysics Data System (ADS)

Bakopoulos, Paraskevas; Dris, Stefanos; Argyris, Nikolaos; Spatharakis, Christos; Avramopoulos, Hercules

2016-03-01

Datacenter traffic is exploding. Ongoing advancements in network infrastructure that ride on Moore's law are unable to keep up, necessitating the introduction of multiplexing and advanced modulation formats for optical interconnects in order to overcome bandwidth limitations, and scale lane speeds with energy- and cost-efficiency to 100 Gb/s and beyond. While the jury is still out as to how this will be achieved, schemes relying on intensity modulation with direct detection (IM/DD) are regarded as particularly attractive, due to their inherent implementation simplicity. Moreover, the scaling-out of datacenters calls for longer transmission reach exceeding 300 m, requiring single-mode solutions. In this work we advocate using 16-QAM sub-cycle Nyquist-SCM as a simpler alternative to discrete multitone (DMT), but which is still more bandwidth-efficient than PAM-4. The proposed optical interconnect is demonstrated at 112 Gb/s, which, to the best of our knowledge, is the highest rate achieved in a single-polarization implementation of SCM. Off-the-shelf components are used: A DFB laser, a 24.3 GHz electro-absorption modulator (EAM) and a limiting photoreceiver, combined with equalization through digital signal processing (DSP) at the receiver. The EAM is driven by a low-swing (<1 V) arbitrary waveform generator (AWG), which produces a 28 Gbaud 16-QAM electrical signal with carrier frequency at ~15 GHz. Tight spectral shaping is leveraged as a means of maintaining signal fidelity when using low-bandwidth electro-optic components; matched root-raised-cosine transmit and receive filters with 0.1 excess bandwidth are thus employed. Performance is assessed through transmission experiments over 1250 m and 2000 m of SMF.

Validation of a novel CARTOSEG™ segmentation module software for contrast-enhanced computed tomography-guided radiofrequency ablation in patients with atrial fibrillation.

PubMed

Imanli, Hasan; Bhatty, Shaun; Jeudy, Jean; Ghzally, Yousra; Ume, Kiddy; Vunnam, Rama; Itah, Refael; Amit, Mati; Duell, John; See, Vincent; Shorofsky, Stephen; Dickfeld, Timm M

2017-11-01

Visualization of left atrial (LA) anatomy using image integration modules has been associated with decreased radiation exposure and improved procedural outcome when used for guidance of pulmonary vein isolation (PVI) in atrial fibrillation (AF) ablation. We evaluated the CARTOSEG™ CT Segmentation Module (Biosense Webster, Inc.) that offers a new CT-specific semiautomatic reconstruction of the atrial endocardium. The CARTOSEG™ CT Segmentation Module software was assessed prospectively in 80 patients undergoing AF ablation. Using preprocedural contrast-enhanced computed tomography (CE-CT), cardiac chambers, coronary sinus (CS), and esophagus were semiautomatically segmented. Segmentation quality was assessed from 1 (poor) to 4 (excellent). The reconstructed structures were registered with the electroanatomic map (EAM). PVI was performed using the registered 3D images. Semiautomatic reconstruction of the heart chambers was successfully performed in all 80 patients with AF. CE-CT DICOM file import, semiautomatic segmentation of cardiac chambers, esophagus, and CS was performed in 185 ± 105, 18 ± 5, 119 ± 47, and 69 ± 19 seconds, respectively. Average segmentation quality was 3.9 ± 0.2, 3.8 ± 0.3, and 3.8 ± 0.2 for LA, esophagus, and CS, respectively. Registration accuracy between the EAM and CE-CT-derived segmentation was 4.2 ± 0.9 mm. Complications consisted of one perforation (1%) which required pericardiocentesis, one increased pericardial effusion treated conservatively (1%), and one early termination of ablation due to thrombus formation on the ablation sheath without TIA/stroke (1%). All targeted PVs (n  =  309) were successfully isolated. The novel CT- CARTOSEG™ CT Segmentation Module enables a rapid and reliable semiautomatic 3D reconstruction of cardiac chambers and adjacent anatomy, which facilitates successful and safe PVI. © 2017 Wiley Periodicals, Inc.

Different regions of latest electrical activation during left bundle-branch block and right ventricular pacing in cardiac resynchronization therapy patients determined by coronary venous electro-anatomic mapping.

PubMed

Mafi Rad, Masih; Blaauw, Yuri; Dinh, Trang; Pison, Laurent; Crijns, Harry J; Prinzen, Frits W; Vernooy, Kevin

2014-11-01

Current targeted left ventricular (LV) lead placement strategy is directed at the latest activated region during intrinsic activation. However, cardiac resynchronization therapy (CRT) is most commonly applied by simultaneous LV and right ventricular (RV) pacing without contribution from intrinsic conduction. Therefore, targeting the LV lead to the latest activated region during RV pacing might be more appropriate. We investigated the difference in LV electrical activation sequence between left bundle-branch block (LBBB) and RV apex (RVA) pacing using coronary venous electro-anatomic mapping (EAM). Twenty consecutive CRT candidates with LBBB underwent intra-procedural coronary venous EAM during intrinsic activation and RVA pacing using EnSite NavX. Left ventricular lead placement was aimed at the latest activated region during LBBB according to current recommendations. In all patients, LBBB was associated with a circumferential LV activation pattern, whereas RVA pacing resulted in activation from the apex of the heart to the base. In 10 of 20 patients, RVA pacing shifted the latest activated region relative to LBBB. In 18 of 20 patients, the LV lead was successfully positioned in the latest activated region during LBBB. For the whole study population, LV lead electrical delay, expressed as percentage of QRS duration, was significantly shorter during RVA pacing than during LBBB (72 ± 13 vs. 82 ± 5%, P = 0.035). Right ventricular apex pacing alters LV electrical activation pattern in CRT patients with LBBB, and shifts the latest activated region in a significant proportion of these patients. These findings warrant reconsideration of the current practice of LV lead targeting for CRT. © 2014 The Authors. European Journal of Heart Failure © 2014 European Society of Cardiology.

Coast to Coast Support of the E-2C Hawkeye using Distributed TSP

DTIC Science & Technology

2008-05-02

Share history of each subgroup and establish a vision f th f t f thi l f d to e u ure or s new y orme eam 3. Establish team operating principles...visits were made by team t th ld k t b d b ild th b id b t th Th ff t NAVAIR Systems/Software Support Center (NSSC) Slide 18 managemen so ey cou now...Success • High quality products from multiple teams delivered on ti d t d tme an cos o no happen in a vacuum • There is a need for common processes

Multilaboratory Validation of First Action Method 2016.04 for Determination of Four Arsenic Species in Fruit Juice by High-Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometry.

PubMed

Kubachka, Kevin; Heitkemper, Douglas T; Conklin, Sean

2017-07-01

Before being designated AOAC First Action Official MethodSM 2016.04, the U.S. Food and Drug Administration's method, EAM 4.10 High Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometric Determination of Four Arsenic Species in Fruit Juice, underwent both a single-laboratory validation and a multilaboratory validation (MLV) study. Three federal and five state regulatory laboratories participated in the MLV study, which is the primary focus of this manuscript. The method was validated for inorganic arsenic (iAs) measured as the sum of the two iAs species arsenite [As(III)] and arsenate [As(V)], dimethylarsinic acid (DMA), and monomethylarsonic acid (MMA) by analyses of 13 juice samples, including three apple juice, three apple juice concentrate, four grape juice, and three pear juice samples. In addition, two water Standard Reference Materials (SRMs) were analyzed. The method LODs and LOQs obtained among the eight laboratories were approximately 0.3 and 2 ng/g, respectively, for each of the analytes and were adequate for the intended purpose of the method. Each laboratory analyzed method blanks, fortified method blanks, reference materials, triplicate portions of each juice sample, and duplicate fortified juice samples (one for each matrix type) at three fortification levels. In general, repeatability and reproducibility of the method was ≤15% RSD for each species present at a concentration >LOQ. The average recovery of fortified analytes for all laboratories ranged from 98 to 104% iAs, DMA, and MMA for all four juice sample matrixes. The average iAs results for SRMs 1640a and 1643e agreed within the range of 96-98% of certified values for total arsenic.

High Strain Rate and Shock-Induced Deformation in Metals

NASA Astrophysics Data System (ADS)

Ravelo, Ramon

2012-02-01

Large-scale non-equilibrium molecular Dynamics (MD) simulations are now commonly used to study material deformation at high strain rates (10^9-10^12 s-1). They can provide detailed information-- such as defect morphology, dislocation densities, and temperature and stress profiles, unavailable or hard to measure experimentally. Computational studies of shock-induced plasticity and melting in fcc and bcc single, mono-crystal metals, exhibit generic characteristics: high elastic limits, large directional anisotropies in the yield stress and pre-melting much below the equilibrium melt temperature for shock wave propagation along specific crystallographic directions. These generic features in the response of single crystals subjected to high strain rates of deformation can be explained from the changes in the energy landscape of the uniaxially compressed crystal lattice. For time scales relevant to dynamic shock loading, the directional-dependence of the yield strength in single crystals is shown to be due to the onset of instabilities in elastic-wave propagation velocities. The elastic-plastic transition threshold can accurately be predicted by a wave-propagation stability analysis. These strain-induced instabilities create incipient defect structures, which can be quite different from the ones, which characterize the long-time, asymptotic state of the compressed solid. With increase compression and strain rate, plastic deformation via extended defects gives way to amorphization associated with the loss in shear rigidity along specific deformation paths. The hot amorphous or (super-cooled liquid) metal re-crystallizes at rates, which depend on the temperature difference between the amorphous solid and the equilibrium melt line. This plastic-amorphous transition threshold can be computed from shear-waves stability analyses. Examples from selected fcc and bcc metals will be presented employing semi-empirical potentials of the embedded atom method (EAM) type as well as results from density functional theory calculations.

Characterizing diurnal and seasonal cycles in monsoon systems from TRMM and CEOP observations

NASA Technical Reports Server (NTRS)

Lau, William K. M.

2006-01-01

The CEOP Inter-Monsoon Study (CIMS) is one of the two main science drivers of CEOP that aims to (a) provide better understanding of fundamental physical processes in monsoon regions around the world, and (b) demonstrate the synergy and utility of CEOP data in providing a pathway for model physics evaluation and improvement. As the data collection phase for EOP-3 and EOP-4 is being completed, two full annual cycles (2003-2004) of research-quality data sets from satellites, reference sites, and model output location time series (MOLTS) have been processed and made available for data analyses and model validation studies. This article presents preliminary results of a CIMS study aimed at the characterization and intercomparison of all major monsoon systems. The CEOP reference site data proved its value in such exercises by being a powerful tool to cross-validate the TRMM data, and to intercompare with multi-model results in ongoing work. We use 6 years (1998-2003) of pentad CEOP/TRMM data with 2deg x 2.5deg latitude-longitude grid, over the domain of interests to define the monsoon climatological diurnal and annual cycles for the East Asian Monsoon (EAM), the South Asian Monsoon (SAM), the West Africa Monsoon (WAM), the North America/Mexican Monsoon (NAM), the South American Summer Monsoon (SASM) and the Australian Monsoon (AUM). As noted, the TRMM data used in the study were cross-validated using CEOP reference site data, where applicable. Results show that the observed diurnal cycle of rain peaked around late afternoon over monsoon land, and early morning over the oceans. The diurnal cycles in models tend to peak 2-3 hours earlier than observed. The seasonal cycles of the EAM and SAM show the strongest continentality, i.e, strong control by continental processes away from the ITCZ. The WAM, and the AUM shows the less continentality, i.e, strong control by the oceanic ITCZ.

Characterizing Diurnal and Seasonal Cycles in Monsoon Systems from TRMM and CEOP Observations

NASA Technical Reports Server (NTRS)

Lau, William K. M.

2007-01-01

The CEOP Inter-Monsoon Study (CIMS) is one of the two main science drivers of CEOP that aims to (a) provide better understanding of fundamental physical processes in monsoon regions around the world, and (b) demonstrate the synergy and utility of CEOP data in providing a pathway for model physics evaluation and improvement. As the data collection phase for EOP-3 and EOP-4 is being completed, two full annual cycles (2003-2004) of research-quality data sets from satellites, reference sites, and model output location time series (MOLTS) have been processed and made available for data analyses and model validation studies. This article presents preliminary results of a CIMS study aimed at the characterization and intercomparison of all major monsoon systems. The CEOP reference site data proved its value in such exercises by being a powerful tool to cross-validate the TRMM data, and to intercompare with multi-model results in ongoing work. We use 6 years (1998-2003) of pentad CEOP/TRMM data with 2 deg x 2.5 deg. latitude-longitude grid, over the domain of interests to define the monsoon climatological diurnal and annual cycles for the East Asian Monsoon (EAM), the South Asian Monsoon (SAM), the West Africa Monsoon (WAM), the North America/Mexican Monsoon (NAM), the South American Summer Monsoon (SASM) and the Australian Monsoon (AUM). As noted, the TRMM data used in the study were cross-validated using CEOP reference site data, where applicable. Results show that the observed diurnal cycle of rain peaked around late afternoon over monsoon land, and early morning over the oceans. The diurnal cycles in models tend to peak 2-3 hours earlier than observed. The seasonal cycles of the EAM and SAM show the strongest continentality, i.e, strong control by continental processes away from the ITCZ. The WAM, and the AUM shows the less continentality, i.e, strong control by the oceanic ITCZ.

Impact of earliest activation site location in the septal right ventricular outflow tract for identification of left vs right outflow tract origin of idiopathic ventricular arrhythmias.

PubMed

Acosta, Juan; Penela, Diego; Herczku, Csaba; Macías, Yolanda; Andreu, David; Fernández-Armenta, Juan; Cipolletta, Laura; Díaz, Andrés; Korshunov, Viatcheslav; Brugada, Josep; Mont, Lluis; Cabrera, Jose A; Sánchez-Quintana, Damián; Berruezo, Antonio

2015-04-01

The earliest activation site (EAS) location in the septal right ventricular outflow tract (RVOT) could be an additional mapping data predictor of left ventricular outflow tract (LVOT) vs RVOT origin of idiopathic ventricular arrhythmias (VAs). The purpose of this study was to assess the impact of EAS location in predicting LVOT vs RVOT origin. Macroscopic and histologic study was performed in 12 postmortem hearts. Electroanatomic maps (EAMs) from 37 patients with outflow tract (OT) VA with the EAS in the septal RVOT were analyzed. Pulmonary valve (PV) was defined by voltage scanning after validation of voltage thresholds by image integration. EAM measurements were correlated with those of macroscopic/histologic study. A cutoff value of 1.9 mV discriminated between subvalvular and supravalvular positions (90% sensitivity, 96% specificity). EAS ≥1 cm below PV excluded RVOT site of origin (SOO). According to anatomic findings (distance PV-left coronary cusp = 5 ± 3 vs PV-right coronary cusp = 11 ± 5 mm), EAS-PV distance was significantly shorter in VAs arising from left coronary cusp than from the other LVOT locations (4.2 ± 5.4 mm vs 9.2 ± 7 mm; P = .034). The 10-ms isochronal longitudinal/perpendicular diameter ratio was higher in the RVOT vs the LVOT SOO group (1.97 ± 1.2 vs 0.79 ± 0.49; P = .001). An algorithm based on EAS-PV distance and the 10-ms isochronal longitudinal/perpendicular diameter ratio predicted LVOT SOO with 91% sensitivity and 100% specificity. An algorithm based on the EAS-PV distance and the 10-ms isochronal longitudinal/perpendicular diameter ratio accurately predicts LVOT vs RVOT SOO in outflow tract VAs with EAS in the septal RVOT. Copyright © 2015 Heart Rhythm Society. Published by Elsevier Inc. All rights reserved.

Late-Holocene vegetation and climate change in Jeju Island, Korea and its implications for ENSO influences

NASA Astrophysics Data System (ADS)

Park, Jungjae; Shin, Young Ho; Byrne, Roger

2016-12-01

Several recent studies suggest the hypothesis that the El Niño-Southern Oscillation (ENSO) is an important factor controlling the Holocene East Asian Monsoon (EAM). However, the mechanism underlying this influence remains unclear due to the lack of high-resolution paleoclimate records from the coast of East Asia. Here, we provide a new record of late Holocene climate change in coastal East Asia based on multi-proxy evidence (pollen, organic content, magnetic susceptibility, grain size) obtained from a sediment core from Jeju Island, South Korea. As Jeju Island is strongly influenced by the Kuroshio flow, our sediment proxy records contain ENSO signals from the tropical Pacific. The study area was affected by dry/cool conditions in the western tropical Pacific (WTP) between 4350 and 1920 cal yr BP when El Niños were frequent, and by rapid warming/wetting and forestation since 1920 cal yr BP when La Niñas were more common. Jeju Island was relatively dry/cool between 2100 and 1600, 1300-1200, 1100-1000, 800-650, and 300-50 cal yr BP, as opposed to the Galápagos Islands, which were relatively wet/warm, reflecting the ENSO-related negative correlation between eastern and western margins of Pacific. Wet conditions may have prevailed during the early Little Ice Age (LIA) (620-280 cal yr BP) despite consistent cooling. This period of high precipitation may have been associated with the increased landfall of typhoons and with warmer Kuroshio currents under La Niña-like conditions. According to our results, EAM on the East Asian coastal margin was predominantly driven by ENSO activity, rather than by the precession effect. Paleoclimatic data from Jeju Island, with its insular position and closeness to warm Kuroshio currents, provide clear evidence of these ENSO influences.

Atomistic study of nanoprecipitates influence on plasticity and fracture of crystalline metals

NASA Astrophysics Data System (ADS)

Stegailov, Vladimir; Kuksin, Alexey; Norman, Genri; Yanilkin, Alexey

2007-06-01

The recent experimental results [G.I.Kanel et al., 2006] show the essential influence of the nanoprecipitates on spall strength of copper single crystals. In this work we address this issue by the molecular dynamics study. The models under consideration are the EAM systems of Al nanoclusters in the Cu matrix and Cu clusters in the Al matrix. We consider these two cases as the representative examples of nanocluster-matrix difference in shear strength. Three ways of the high strain rate deformation modeling are studied: hydrostatic and uniaxial strain and shock wave loading in the impactor-target model. The preexisting edge dislocation interaction with the precipitate under shear deformation is addressed. The effect of the precipitate size is considered.

Quantitative ENT endoscopy: the future in the new millennium

NASA Astrophysics Data System (ADS)

Mueller, Andreas; Schubert, Mario

1999-06-01

In Otorhinolaryngology the endoscopic appraisal of luminal dimensions of the nose, the throat, the larynx and the trachea is a daily problem. Those concerned with endoscopy know, that endoscopes distort dimensions of examined anatomical structures. To draw conclusions on luminal dimensions from the endoscopic pictures additional measuring devices are required. We developed a new method of measuring luminal dimensions in rigid or flexible endoscopy. For this a laser beam directed radially marks the anatomical lumen of interest in the videoendoscopic vision. The laser ring becomes deformed according to the form of the cavity explored. By keeping the distance defined between the laser ring and the top of the endoscope, the endoscopic video image can be measured. A piece of software developed by us calculates from the pictures the cross sectional area as well as the extension of benign or malign stenosis of the cavity explored. The result of the endoscopic measuring procedure can be visualized 3D on a PC-monitor. We are going to demonstrate the result of our clinical experience in different otorhinolaryngological diseases with the new endoscopic measuring kit in comparison to standard endoscopy. A further perspective is the endoscopic measuring kit in comparison to standard endoscopy. A further perspective is the endoscopic assisted manufacturing (EAM) of anatomical adapted stents, tubes and cannules.

Molecular dynamics study of dual-phase microstructure of Titanium and Zirconium metals during the quenching process

NASA Astrophysics Data System (ADS)

Miyazaki, Narumasa; Sato, Kazunori; Shibutani, Yoji

Dual-phase (DP) transformation, which is composed of felite- and/or martensite- multicomponent microstructural phases, is one of the most effective tools to product functional alloys. To obtain this DP structure such as DP steels and other materials, we usually apply thermal processes such as quenching, tempering and annealing. As the transformation dynamics of DP microstructure depends on conditions of temperature, annealing time, and quenching rate, physical properties of materials are able to be tuned by controlling microstructure type, size, their interfaces and so on. In this study, to understand the behavior of DP transformation and to control physical properties of materials by tuning DP microstructures, we analyze the atomistic dynamics of DP transformation during the quenching process and the detail of DP microstructures by using the molecular dynamics simulations. As target metals of DP transformation, we focus on group 4 transition metals, such as Ti and Zr described by EAM interatomic potentials. For Ti and Zr models we perform molecular dynamics simulations by assuming melt-quenching process from 3000 K to 0 K under the isothermal-isobaric ensemble. During the process for each material, we observe liquid to HCP like transition around the melting temperature, and continuously HCP-BCC like transition around martensitic transformation temperature. Furthermore, we clearly distinguish DP microstructure for each quenched model.

MD modeling of screw dislocation influence upon initiation and mechanism of BCC-HCP polymorphous transition in iron

NASA Astrophysics Data System (ADS)

Dremov, V. V.; Ionov, G. V.; Sapozhnikov, F. A.; Smirnov, N. A.; Karavaev, A. V.; Vorobyova, M. A.; Ryzhkov, M. V.

2015-09-01

The present work is devoted to classical molecular dynamics investigation into microscopic mechanisms of the bcc-hcp transition in iron. The interatomic potential of EAM type used in the calculations was tested for the capability to reproduce ab initio data on energy evolution along the bcc-hcp transformation path (Burgers deformation + shuffe) and then used in the large-scale MD simulations. The large-scale simulations included constant volume deformation along the Burgers path to study the origin and nature of the plasticity, hydrostatic volume compression of defect free samples above the bcc to hcp transition threshold to observe the formation of new phase embryos, and the volume compression of samples containing screw dislocations to study the effect of the dislocations on the probability of the new phase critical embryo formation. The volume compression demonstrated high level of metastability. The transition starts at pressure much higher than the equilibrium one. Dislocations strongly affect the probability of the critical embryo formation and significantly reduce the onset pressure of transition. The dislocations affect also the resulting structure of the samples upon the transition. The formation of layered structure is typical for the samples containing the dislocations. The results of the simulations were compared with the in-situ experimental data on the mechanism of the bcc-hcp transition in iron.

Diffusion behavior of Cu/Ta heterogeneous interface under high temperature and high strain: An atomistic investigation

NASA Astrophysics Data System (ADS)

Li, Ganglong; Wu, Houya; Luo, Honglong; Chen, Zhuo; Tay, Andrew A. O.; Zhu, Wenhui

2017-09-01

Three-dimensional (3D) integration technology using Cu interconnections has emerged as a promising solution to improve the performance of silicon microelectronic devices. However, Cu diffuses into SiO2 and requires a barrier layer such as Ta to ensure acceptable reliability. In this paper, the effects of temperature and strain normal to the interface on the inter-diffusion of Cu and Ta at annealing conditions are investigated using a molecular dynamics (MD) technique with embedded atomic method (EAM) potentials. Under thermal annealing conditions without strain, it is found that a Cu-rich diffusion region approximately 2 nm thick is formed at 1000 K after 10 ns of annealing. Ta is capable of diffusing into the interior of Cu but Cu hardly diffuses into the inner lattice of Ta. At the Cu side near the interface an amorphous structure is formed due to the process of diffusion. The diffusion activation energy of Cu and Ta are found to be 0.9769 and 0.586 eV, respectively. However, when a strain is applied, a large number of crystal defects are generated in the sample. As the strain is increased, extrinsic stacking faults (ESFs) and lots of Shockley partial dislocations appear. The density of the dislocations and the diffusion channels increase, promoting the diffusion of Cu atoms into the inner lattice of Ta. The thickness of the diffusion layer increases to 4 times the value when only a temperature load of 700 K is applied. The MD simulations demonstrated that Ta is very effective as a barrier layer under thermal loading only, and its effectiveness is impaired by tensile strain at the Cu/Ta interface. The simulations also clarified the mechanism that caused the impairment. The methodology and approach described in this paper can be followed further to study the effectiveness of barrier layers under various annealing and strain conditions, and to determine the minimum thickness of barrier layers required for a particular application.

Autoimmune Myocarditis, Valvulitis, and Cardiomyopathy

PubMed Central

Myers, Jennifer M.; Cunningham, Madeleine W.; Fairweather, DeLisa; Huber, Sally A.

2013-01-01

Cardiac myosin-induced autoimmune myocarditis (EAM) is a model of inflammatory heart disease initiated by CD4+ T cells (Smith and Allen 1991; Li, Heuser et al. 2004). It is a paradigm of the immune-mediated cardiac damage believed to play a role in the pathogenesis of a subset of postinfectious human cardiomyopathies (Rose, Herskowitz et al. 1993). Myocarditis is induced in susceptible mice by immunization with purified cardiac myosin (Neu, Rose et al. 1987) or specific peptides derived from cardiac myosin (Donermeyer, Beisel et al. 1995; Pummerer, Luze et al. 1996) (see Basic Protocol 1), or by adoptive transfer of myosin-reactive T cells (Smith and Allen 1991) (see Alternate Protocol). Myocarditis has been induced in Lewis rats by immunization with purified rat or porcine cardiac myosin (Kodama, Matsumoto et al. 1990; Li, Heuser et al. 2004) (see Basic Protocol 2) or S2-16 peptide (Li, Heuser et al. 2004), or by adoptive transfer of T cells stimulated by specific peptides derived from cardiac myosin (Wegmann, Zhao et al. 1994). Myocarditis begins 12 to 14 days after the first immunization, and is maximal after 21 days. Other animal models commonly used to study myocarditis development include the pathogen-induced models in which disease is initiated by viral infection. The first murine model of acute viral myocarditis causes sudden death via viral damage to cardiomyocytes (Huber, Gauntt et al. 1998; Horwitz, La Cava et al. 2000; Fong 2003; Fuse, Chan et al. 2005; Fairweather and Rose 2007; Cihakova and Rose 2008) whereas the second model is based on inoculation with heart-passaged coxsackievirus B3 (CVB3) that includes damaged heart proteins (Fairweather, Frisancho-Kiss et al. 2004; Fairweather D 2004; Fairweather and Rose 2007; Cihakova and Rose 2008) In addition to the protocols used to induce EAM in mice and rats, support protocols are included for preparing purified cardiac myosin using mouse or rat heart tissue (see Support Protocol 1), preparing purified cardiac myosin for injection (see Support Protocol 2), and collecting and assessing hearts by histopathological means (see Support Protocol 3). PMID:23564686

MicroRNA-381 reduces inflammation and infiltration of macrophages in polymyositis via downregulating HMGB1.

PubMed

Liu, Yutao; Gao, Yuan; Yang, Jing; Shi, Changhe; Wang, Yanlin; Xu, Yuming

2018-06-29

The downregulation of microRNA (miR)-381 has been detected in various diseases. The present study aimed to investigate the effects, and underlying mechanisms of miR-381 on inflammation and macrophage infiltration in polymyositis (PM). A mouse model of experimental autoimmune myositis (EAM) was generated in this study. Hematoxylin and eosin staining was conducted to detect the inflammation of muscle tissues. In addition, ELISA and immunohistochemistry were performed to determine the expression levels of associated factors, and reverse transcription-quantitative polymerase chain reaction and western blotting were used to detect the expression levels of related mRNAs and proteins. A luciferase activity assay was used to confirm the binding of miR-381 and high mobility group box 1 (HMGB1) 3' untranslated region. Transwell assays were also performed to assess the migratory ability of macrophages. The results demonstrated that serum creatine kinase (s-CK), HMGB1 and cluster of differentiation (CD)163 expression in patients with PM were increased compared within healthy controls. Conversely, the expression levels of miR-381 were downregulated in patients with PM. Furthermore, high HMGB1 expression was associated with poor survival rate in patients with PM. In the mouse studies, muscle inflammation and CD163 expression were decreased in the anti-IL-17 and anti-HMGB1 groups, compared with in the EAM model group. The expression levels of s-CK, HMGB1, IL-17 and intercellular adhesion molecule (ICAM)-1 were also downregulated in response to anti-IL-17 and anti-HMGB1. These findings indicated that HMGB1 was closely associated with inflammatory responses. In addition, the present study indicated that transfection of macrophages with miR-381 mimics reduced the migration of inflammatory macrophages, and the expression levels of HMGB1, IL-17 and ICAM-1. Conversely, miR-381 inhibition exerted the opposite effects. The effects of miR-381 inhibitors were reversed by HMGB1 small interfering RNA. In conclusion, miR-381 may reduce inflammation and the infiltration of macrophages; these effects were closely associated with the downregulation of HMGB1.

Facsimile: An Overview for the Manager. Executive Summary.

DTIC Science & Technology

1973-05-01

block nia,b.r) SEE ATTACHED SHEET N~ A~~~~~AC? f’ ~~~ Id~~ lfr by block m b.r) SEE ATTACHED SHEET ,‘.~~~~ 1Q3 EMPTIOSI OV ~ ~~ s ~ OS~~ _f’T~E . - S...1 vi I I ~‘~A (•’,, I~~I A~; o p :~~Tfl~w FOR : Td , MA1~~:;I~RI ii. od uct ior : In l~ 38 . A. N . Go~.ds m i t h c . n c l od~ d t~~at te le i... TD ~ The ident ical costs l imits shown occur because the ’ I same eam ipm en t may be built to operate at several fk’- r en t speeds simply by se t

Genome analysis of urease positive Serratia marcescens, co-producing SRT-2 and AAC(6')-Ic with multidrug efflux pumps for antimicrobial resistance.

PubMed

Srinivasan, Vijaya Bharathi; Rajamohan, Govindan

2018-04-05

In this study, we present the genome sequence of Serratia marcescens SM03, recovered from a human gut in India. The final assembly consists of 26 scaffolds (4620 coding DNA sequences, 5.08 Mb, 59.6% G + C ratio) and 79 tRNA genes. Analysis identified novel genes associated with lactose utilization, virulence, P-loop GTPases involved in urease production, CFA/I fimbriae apparatus and Yersinia - type CRISPR proteins. Antibiotic susceptibility testing indicated drug tolerant phenotype and inhibition assays demonstrated involvement of extrusion in resistance. Presence of enzymes SRT-2, AAC(6')-Ic, with additional Ybh transporter and EamA-like efflux pumps signifies the genetic plasticity observed in S. marcescens SM03. Copyright © 2018 Elsevier Inc. All rights reserved.

High-speed Si/GeSi hetero-structure Electro Absorption Modulator.

PubMed

Mastronardi, L; Banakar, M; Khokhar, A Z; Hattasan, N; Rutirawut, T; Bucio, T Domínguez; Grabska, K M; Littlejohns, C; Bazin, A; Mashanovich, G; Gardes, F Y

2018-03-19

The ever-increasing demand for integrated, low power interconnect systems is pushing the bandwidth density of CMOS photonic devices. Taking advantage of the strong Franz-Keldysh effect in the C and L communication bands, electro-absorption modulators in Ge and GeSi are setting a new standard in terms of device footprint and power consumption for next generation photonics interconnect arrays. In this paper, we present a compact, low power electro-absorption modulator (EAM) Si/GeSi hetero-structure based on an 800 nm SOI overlayer with a modulation bandwidth of 56 GHz. The device design and fabrication tolerant process are presented, followed by the measurement analysis. Eye diagram measurements show a dynamic ER of 5.2 dB at a data rate of 56 Gb/s at 1566 nm, and calculated modulator power is 44 fJ/bit.

Las Palmeras Molecular Dynamics: A flexible and modular molecular dynamics code

NASA Astrophysics Data System (ADS)

Davis, Sergio; Loyola, Claudia; González, Felipe; Peralta, Joaquín

2010-12-01

Las Palmeras Molecular Dynamics (LPMD) is a highly modular and extensible molecular dynamics (MD) code using interatomic potential functions. LPMD is able to perform equilibrium MD simulations of bulk crystalline solids, amorphous solids and liquids, as well as non-equilibrium MD (NEMD) simulations such as shock wave propagation, projectile impacts, cluster collisions, shearing, deformation under load, heat conduction, heterogeneous melting, among others, which involve unusual MD features like non-moving atoms and walls, unstoppable atoms with constant-velocity, and external forces like electric fields. LPMD is written in C++ as a compromise between efficiency and clarity of design, and its architecture is based on separate components or plug-ins, implemented as modules which are loaded on demand at runtime. The advantage of this architecture is the ability to completely link together the desired components involved in the simulation in different ways at runtime, using a user-friendly control file language which describes the simulation work-flow. As an added bonus, the plug-in API (Application Programming Interface) makes it possible to use the LPMD components to analyze data coming from other simulation packages, convert between input file formats, apply different transformations to saved MD atomic trajectories, and visualize dynamical processes either in real-time or as a post-processing step. Individual components, such as a new potential function, a new integrator, a new file format, new properties to calculate, new real-time visualizers, and even a new algorithm for handling neighbor lists can be easily coded, compiled and tested within LPMD by virtue of its object-oriented API, without the need to modify the rest of the code. LPMD includes already several pair potential functions such as Lennard-Jones, Morse, Buckingham, MCY and the harmonic potential, as well as embedded-atom model (EAM) functions such as the Sutton-Chen and Gupta potentials. Integrators to choose include Euler (if only for demonstration purposes), Verlet and Velocity Verlet, Leapfrog and Beeman, among others. Electrostatic forces are treated as another potential function, by default using the plug-in implementing the Ewald summation method. Program summaryProgram title: LPMD Catalogue identifier: AEHG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 509 490 No. of bytes in distributed program, including test data, etc.: 6 814 754 Distribution format: tar.gz Programming language: C++ Computer: 32-bit and 64-bit workstation Operating system: UNIX RAM: Minimum 1024 bytes Classification: 7.7 External routines: zlib, OpenGL Nature of problem: Study of Statistical Mechanics and Thermodynamics of condensed matter systems, as well as kinetics of non-equilibrium processes in the same systems. Solution method: Equilibrium and non-equilibrium molecular dynamics method, Monte Carlo methods. Restrictions: Rigid molecules are not supported. Polarizable atoms and chemical bonds (proteins) either. Unusual features: The program is able to change the temperature of the simulation cell, the pressure, cut regions of the cell, color the atoms by properties, even during the simulation. It is also possible to fix the positions and/or velocity of groups of atoms. Visualization of atoms and some physical properties during the simulation. Additional comments: The program does not only perform molecular dynamics and Monte Carlo simulations, it is also able to filter and manipulate atomic configurations, read and write different file formats, convert between them, evaluate different structural and dynamical properties. Running time: 50 seconds on a 1000-step simulation of 4000 argon atoms, running on a single 2.67 GHz Intel processor.

New Concepts in Indexing *

PubMed Central

Shank, Russell

1965-01-01

Recent trends in indexing emphasize mechanical, not intellectual, developments. Mechanized operations have produced indexes in depth (1) of information on limited areas of science or (2) utilizing limited parameters for analysis. These indexes may include only citations or both useful data and citations of source literature. Both keyword-in-context and citation indexing seem to be passing the test of the marketplace. Mechanical equipment has also been successfully used to manipulate EAM cards for production of index copy. Information centers are increasingly being used as control devices in narrowly defined subject areas. Authors meet growing pressures to participate in information control work by preparing abstracts of their own articles. Mechanized image systems persist, although large systems are scarce and the many small systems may bring only limited relief for information control and retrieval problems. Experimentation and limited development continue on theory and technique of automatic indexing and abstracting. PMID:14306025

The influence of void and porosity on deformation behaviour of nanocrystalline Ni under tensile followed by compressive loading

NASA Astrophysics Data System (ADS)

Meraj, Md.; Nayak, Shradha; Krishanjeet, Kumar; Pal, Snehanshu

2018-03-01

In this paper, we present a lucid understanding about the deformation behaviour of nanocrystalline (NC) Ni with and without defects subjected to tensile followed by compressive loading using molecular dynamic (MD) simulations. The embedded atom method (EAM) potential have been incorporated in the simulation for three kinds of samples-i.e. for NC Ni (without any defect), porous NC Ni and NC Ni containing a centrally located void. All the three samples, which have been prepared by implementing the Voronoi method and using Atom Eye software, consist of 16 uniform grains. The total number of atoms present in NC Ni, porous NC Ni and NC Ni containing a void are 107021, 105968 and 107012 respectively. The stress-strain response of NC Ni under tensile followed by compressive loading are simulated at a high strain rate of 107 s-1 and at a constant temperature of 300K. The stress-strain curves for the NC Ni with and without defects have been plotted for three different types of loading: (a) tensile loading (b) compressive loading (c) forward tensile loading followed by reverse compressive loading. Prominent change in yield strength of the NC Ni is observed due to the introduction of defects. For tensile followed by compressive loading (during forward loading), the yield point for NC Ni with void is lesser than the yield point of NC Ni and porous NC Ni. The saw tooth shape or serration portion of the stress-strain curve is mainly due to three characteristic phenomena, dislocation generation and its movement, dislocation pile-up at the junctions, and dislocation annihilation. Both twins and stacking faults are observed due to plastic deformation as the deformation mechanism progresses. The dislocation density, number of clusters and number of vacancy of the NC sample with and without defects are plotted against the strain developed in the sample. It is seen that introduction of defects brings about change in mechanical properties of the NC Ni. The crystalline nature of NC Ni is found to decrease with introduction of defects. The findings of this work can thus be extended in bringing a whole new insight related to the deformation behaviour and properties of Nano- materials during cyclic deformation at various temperatures.

A novel oscillation control for MEMS vibratory gyroscopes using a modified electromechanical amplitude modulation technique

NASA Astrophysics Data System (ADS)

Ma, Wei; Lin, Yiyu; Liu, Siqi; Zheng, Xudong; Jin, Zhonghe

2017-02-01

This paper reports a novel oscillation control algorithm for MEMS vibratory gyroscopes using a modified electromechanical amplitude modulation (MEAM) technique, which enhances the robustness against the frequency variation of the driving mode, compared to the conventional EAM (CEAM) scheme. In this approach, the carrier voltage exerted on the proof mass is frequency-modulated by the drive resonant frequency. Accordingly, the pick-up signal from the interface circuit involves a constant-frequency component that contains the amplitude and phase information of the vibration displacement. In other words, this informational detection signal is independent of the mechanical resonant frequency, which varies due to different batches, imprecise micro-fabrication and changing environmental temperature. In this paper, the automatic gain control loop together with the phase-locked loop are simultaneously analyzed using the averaging method and Routh-Hurwitz criterion, deriving the stability condition and the parameter optimization rules of the transient response. Then, a simulation model based on the real system is set up to evaluate the control algorithm. Further, the proposed MEAM method is tested using a field-programmable-gate-array based digital platform on a capacitive vibratory gyroscope. By optimizing the control parameters, the transient response of the drive amplitude reveals a settling time of 45.2 ms without overshoot, according well with the theoretical prediction and simulation results. The first measurement results show that the amplitude variance of the drive displacement is 12 ppm in an hour while the phase standard deviation is as low as 0.0004°. The mode-split gyroscope operating under atmospheric pressure demonstrates an outstanding performance. By virtue of the proposed MEAM method, the bias instability and angle random walk are measured to be 0.9° h-1 (improved by 2.4 times compared to the CEAM method) and 0.068° (√h)-1 (improved by 1.4 times), respectively.

TU-A-210-00: HIFU Therapies - A Primer

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

NONE

2015-06-15

High-intensity focused ultrasound (HIFU) has developed rapidly in recent years and is used frequently for clinical treatments in Asia and Europe with increasing clinical use and clinical trial activity in the US, making it an important medical technology with which the medical physics community must become familiar. Akin to medical devices that deliver treatments using ionizing radiation, HIFU relies on emitter geometry to non-invasively form a tight focus that can be used to affect diseased tissue while leaving healthy tissue intact. HIFU is unique in that it does not involve the use of ionizing radiation, it causes thermal necrosis inmore » 100% of the treated tissue volume, and it has an immediate treatment effect. However, because it is an application of ultrasound energy, HIFU interacts strongly with tissue interfaces, which makes treatment planning challenging. In order to appreciate the advantages and disadvantages of HIFU as a thermal therapy, it is important to understand the underlying physics of ultrasound tissue interactions. The first lecture in the session will provide an overview of the physics of ultrasound wave propagation; the mechanism for the accumulation of heat in soft-tissue; image-guidance modalities including temperature monitoring; current clinical applications and commercial devices; active clinical trials; alternate mechanisms of action (future of FUS). The second part of the session will compare HIFU to existing ionization radiation techniques. The difficulties in defining a clear concept of absorbed dose for HIFU will be discussed. Some of the technical challenges that HIFU faces will be described, with an emphasis on how the experience of radiation oncology physicists could benefit the field. Learning Objectives: Describe the basic physics and biology of HIFU, including treatment delivery and image guidance techniques. Summarize existing and emerging clinical applications and manufacturers for HIFU. Understand that thermal ablation with HIFU is likely the first of several applications of the technology Learn about some similarities and differences between HIFU and ionizing radiation in terms of physics and biological effects. Learn about some of the technical challenges HIFU faces that might benefit from the experience of radiation oncology physicists including treatment planning improvements, quality assurance procedures, and treatment risk analysis. David Schlesinger receives research support from Elekta Instruments, AB. Matt Eames is an employee of the Focused Ultrasound Foundation which supports research and clinical trials. Dr. Eames conducts research which is supported by the Focused Ultrasound Foundation.« less

TU-A-210-01: HIFU Physics and Delivery

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

Eames, M.

2015-06-15

High-intensity focused ultrasound (HIFU) has developed rapidly in recent years and is used frequently for clinical treatments in Asia and Europe with increasing clinical use and clinical trial activity in the US, making it an important medical technology with which the medical physics community must become familiar. Akin to medical devices that deliver treatments using ionizing radiation, HIFU relies on emitter geometry to non-invasively form a tight focus that can be used to affect diseased tissue while leaving healthy tissue intact. HIFU is unique in that it does not involve the use of ionizing radiation, it causes thermal necrosis inmore » 100% of the treated tissue volume, and it has an immediate treatment effect. However, because it is an application of ultrasound energy, HIFU interacts strongly with tissue interfaces, which makes treatment planning challenging. In order to appreciate the advantages and disadvantages of HIFU as a thermal therapy, it is important to understand the underlying physics of ultrasound tissue interactions. The first lecture in the session will provide an overview of the physics of ultrasound wave propagation; the mechanism for the accumulation of heat in soft-tissue; image-guidance modalities including temperature monitoring; current clinical applications and commercial devices; active clinical trials; alternate mechanisms of action (future of FUS). The second part of the session will compare HIFU to existing ionization radiation techniques. The difficulties in defining a clear concept of absorbed dose for HIFU will be discussed. Some of the technical challenges that HIFU faces will be described, with an emphasis on how the experience of radiation oncology physicists could benefit the field. Learning Objectives: Describe the basic physics and biology of HIFU, including treatment delivery and image guidance techniques. Summarize existing and emerging clinical applications and manufacturers for HIFU. Understand that thermal ablation with HIFU is likely the first of several applications of the technology Learn about some similarities and differences between HIFU and ionizing radiation in terms of physics and biological effects. Learn about some of the technical challenges HIFU faces that might benefit from the experience of radiation oncology physicists including treatment planning improvements, quality assurance procedures, and treatment risk analysis. David Schlesinger receives research support from Elekta Instruments, AB. Matt Eames is an employee of the Focused Ultrasound Foundation which supports research and clinical trials. Dr. Eames conducts research which is supported by the Focused Ultrasound Foundation.« less

Grain Boundary Character Distributions In Isostructural Materials

NASA Astrophysics Data System (ADS)

Ratanaphan, Sutatch

Anisotropic grain boundary character distributions (GBCDs), which influence macroscopic materials properties, are thought to be controlled by the grain boundary energy anisotropy. Structurally, grain boundary could be viewed as two free surfaces joined together. Grain boundary energy could be simply defined by the total excess energy for creating two free surfaces minus the energy gained when new bonds are formed between these surfaces. This implies that different crystal structure should have different GBEDs and GBCDs. It was recently discovered that grain boundary energy distributions (GBED) in isostructural materials, a class of materials that share the same crystal structure, are directly related to one another. This suggests that GBCDs in isostructural materials might also be related in a similar way. To test this hypothesis, electron backscatter diffraction (EBSD) was used to map grain orientations in Ag, Au, Cu, Fe, and Mo. The GBCDs were determined from the stereological interpretation of EBSD maps containing on the order of 100,000 grains. It was found that the GBCDs of face-centered cubic (FCC) metals are statistically correlated, while the GBCDs of body-centered cubic (BCC) Fe and Mo are not correlated to the GBCD of FCC metals. The degree of the correlations among the FCC metals is weaker if there are significant differences in grain shape or texture. For example, Ag has the weakest correlation to the other FCC materials and also has quantitatively different grain shapes and texture. The relationship between the populations and energies of grain boundaries was also studied. By comparing the GBCDs of Al, Au, Cu, and Ni to the energies of 388 grain boundaries previously calculated by the Embedded Atom Method (EAM), we observed a moderately inverse correlation between the relative areas of grain boundaries and their energies. Interestingly, there are strong inverse correlations between the energies and populations of the most common grain boundaries (Sigma3, Sigma9, and Sigma27). Because the enhancement of twin related boundaries due to the prevalence Sigma3 boundaries results in a decrease in the grain boundary populations for the other boundary types, this inverse correlation is influenced by the crystallographic constraints at triple junctions. In other words, having an anisotropic misorientation distribution with strong maxima for certain boundaries biases the inverse correlation between grain boundary population and energy for other boundaries and causes different slopes at each misorientation. Interestingly, the inverse correlation at each misorientation is consistent with the Boltzmann distribution. Based on our results, it is possible to predict the GBCDs and GBEDs in isostructural polycrystalline materials by using a single GBCD and GBED. This principle is demonstrated by predicting the GBCD and GBED of Actinium (Ac). To investigate the GBED in the isostructural BCC metals, the energies of 408 grain boundaries in Fe and Mo were computed using atomistic simulations based on the embedded-atom method (EAM) potential. We found that the calculated boundary energies in Fe and Mo were strongly correlated and scaled with the ratio of the cohesive energy divided by the square of the lattice constant (Ecoh/a02). We would expect that the GBCD of Fe and Mo might be correlated in a similar manner to that of FCC metals. To test this hypothesis, we compared the GBCDs of Fe and Mo. We found that the GBCDs of Fe and Mo are moderately and strongly correlated when all boundary types and only Sigma3 boundaries were considered, respectively. In this thesis, the results demonstrated that the GBCDs of isostructural materials are correlated with one another and the magnitudes of correlation coefficients varied. Reduced correlations were observed when there were differences in the microstructure and crystallographic texture. The inverse relationship between grain boundary population and energy is more strongly correlated at each misorientation than over the entire five macroscopic parameters of grain boundary, especially when there is significant misorientation texture. This relationship leads to GBCDs of isostructural materials that are also more strongly correlated at each misorientation than over the entire grain boundary space.

Evidence-based algorithm for diagnosis and assessment in psoriatic arthritis: results by Italian DElphi in psoriatic Arthritis (IDEA).

PubMed

Lapadula, G; Marchesoni, A; Salaffi, F; Ramonda, R; Salvarani, C; Punzi, L; Costa, L; Caso, F; Simone, D; Baiocchi, G; Scioscia, C; Di Carlo, M; Scarpa, R; Ferraccioli, G

2016-12-16

Psoriatic arthritis (PsA) is a chronic inflammatory disease involving skin, peripheral joints, entheses, and axial skeleton. The disease is frequently associated with extrarticular manifestations (EAMs) and comorbidities. In order to create a protocol for PsA diagnosis and global assessment of patients with an algorithm based on anamnestic, clinical, laboratory and imaging procedures, we established a DElphi study on a national scale, named Italian DElphi in psoriatic Arthritis (IDEA). After a literature search, a Delphi poll, involving 52 rheumatologists, was performed. On the basis of the literature search, 202 potential items were identified. The steering committee planned at least two Delphi rounds. In the first Delphi round, the experts judged each of the 202 items using a score ranging from 1 to 9 based on its increasing clinical relevance. The questions posed to experts were How relevant is this procedure/observation/sign/symptom for assessment of a psoriatic arthritis patient? Proposals of additional items, not included in the questionnaire, were also encouraged. The results of the poll were discussed by the Steering Committee, which evaluated the necessity for removing selected procedures or adding additional ones, according to criteria of clinical appropriateness and sustainability. A total of 43 recommended diagnosis and assessment procedures, recognized as items, were derived by combination of the Delphi survey and two National Expert Meetings, and grouped in different areas. Favourable opinion was reached in 100% of cases for several aspects covering the following areas: medical (familial and personal) history, physical evaluation, imaging tool, second level laboratory tests, disease activity measurement and extrarticular manifestations. After performing PsA diagnosis, identification of specific disease activity scores and clinimetric approaches were suggested for assessing the different clinical subsets. Further, results showed the need for investigation on the presence of several EAMs and risk factors. In the context of any area, a rank was assigned for each item by Expert Committee members, in order to create the logical sequence of the algorithm. The final list of recommended diagnosis and assessment procedures, by the Delphi survey and the two National Expert Meetings, was also reported as an algorithm. This study shows results obtained by the combination of a DElphi survey of a group of Italian rheumatologists and two National Expert Meetings, created with the aim of establishing a clinical procedure and algorithm for the diagnosis and the assessment of PsA patients. In order to find accurate and practical diagnostic and assessment items in clinical practice, we have focused our attention on evaluating the different PsA domains. Hence, we conceived the IDEA algorithm in order to address PsA diagnosis and assessment in the context of daily clinical practice. The IDEA algorithm might eventually lead to a multidimensional approach and could represent a useful and practical tool for addressing diagnosis and for assessing the disease appropriately. However, the elaborated algorithm needs to be further investigated in daily practice, for evidencing and proving its eventual efficacy in detecting and staging PsA and its heterogeneous spectrum appropriately.

Sensitivity studies on the impacts of Tibetan Plateau snowpack pollution on the Asian hydrological cycle and monsoon climate

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

Qian, Yun; Flanner, M G; Leung, Lai-Yung R

2011-03-02

The Tibetan Plateau (TP), the highest and largest plateau in the world, has long been identified to be critical in regulating the Asian monsoon climate and hydrological cycle. The snowpack and glaciers over the TP provide fresh water to billions of people in Asian countries, but the TP glaciers have been retreating extensively at a speed faster than any other part of the world. In this study a series of experiments with a global climate model are designed to simulate black carbon (BC) and dust in snow and their radiative forcing and to assess the relative impacts of anthropogenic COmore » 2 and carbonaceous particles in the atmosphere and snow, respectively, on the snowpack over the TP, as well as their subsequent impacts on the Asian monsoon climate and hydrological cycle. Results show a large BC content in snow over the TP, especially the southern slope, with concentration larger than 100 µk/kg. Because of the high aerosol content in snow and large incident solar radiation in the low latitude and high elevation, the TP exhibits the largest surface radiative forcing induced by aerosols (e.g. BC, Dust) in snow compared to other snow-covered regions in the world. The aerosol-induced snow albedo perturbations generate surface radiative forcing of 5-25 W m -2 during spring, with a maximum in April or May. BC-in-snow increases the surface air temperature by around 1.0°C averaged over the TP and reduces snowpack over the TP more than that induced by pre-industrial to present CO 2 increase and carbonaceous particles in the atmosphere during spring. As a result, runoff increases during late winter and early spring but decreases during late spring and early summer (i.e. a trend toward earlier melt dates). The snowmelt efficacy, defined as the snowpack reduction per unit degree of warming induced by the forcing agent, is 1-4 times larger for BC-in-snow than CO 2 increase during April-July, indicating that BC-in-snow more efficiently accelerates snowmelt because the increased net solar radiation induced by reduced albedo melts the snow more efficiently than snow melt due to warming in the air. The TP also influences the South (SAM) and East (EAM) Asian monsoon through its dynamical and thermal forcing. During boreal spring, aerosols are transported by the southwesterly and reach the higher altitude and/or deposited in the snowpack over the TP. While BC and OM in the atmosphere directly absorb sunlight and warm the air, the darkened snow surface polluted by BC absorbs more solar radiation and increases the skin temperature, which warms the air above by the increased sensible heat flux over the TP. Both effects enhance the upward motion of air and spur deep convection along the TP during pre-monsoon season, resulting in earlier onset of the SAM and increase of moisture, cloudiness and convective precipitation over northern India. BC-in-snow has a more significant impact on the EAM in July than CO 2 increase and carbonaceous particles in the atmosphere. Contributed by the significant increase of both sensible heat flux associated with the warm skin temperature and latent heat flux associated with increased soil moisture with long memory, the role of the TP as a heat pump is elevated from spring through summer as the land-sea thermal contrast increases to strengthen the EAM. As a result, both southern China and northern China become wetter, but central China (i.e. Yangtze River Basin) becomes drier - a near zonal anomaly pattern that is consistent with the dominant mode of precipitation variability in East Asia.« less

Shockwave-Induced Plasticity Via Large-Scale Nonequilibrium Molecular Dynamics

NASA Astrophysics Data System (ADS)

Holian, Brad Lee

1997-07-01

In nonequilibrium molecular-dynamics (MD) simulations of shock waves in single crystals, carried out in 1979 at Los Alamos,(B.L. Holian and G.K. Straub, Phys. Rev. Lett. 43), 1598 (1979). we discovered that, above a threshold strength, strongly shocked crystals deform in a very simple way. Rather than experiencing massive deformation, a simple slippage occurs at the shock front, relieving the peak shear stress, and leaving behind a stacking fault. We realized, of course, that real materials could yield at much lower thresholds, and speculated then that pre-existing defects could nucleate plastic flow at lower shock strengths than those characteristic of pure single crystals. (Historical note: at about the same time as our earliest dynamical shockwave simulations, Mogilevsky, working independently in the Soviet Union, carried out relaxation MD calculations under uniaxial strain, and observed spontaneous production of dislocations.(M.A. Mogilevsky, in Shock Waves and High Strain Rate Phenomena in Metals) (Plenum, New York, 1981), p.531.) Further Los Alamos calculations, carried out nearly a decade later in five-times larger systems (up to 10,000 atoms), confirmed this observation and quantified the threshold strength, namely the yield strength of the perfect crystal.(B.L. Holian, Phys. Rev. A 37), 2562 (1988); for a review, see B.L. Holian, Shock Waves 5, 149 (1995). Subsequently, Zaretskii and co-workers,(E.B. Zaretskii, G.I. Kanel, P.A. Mogilevskii, and V.E. Fortov, Sov. Phys. Dokl. 36), 76 (1991). using x-ray diffraction of shocked single crystals, confirmed our MD observations of stacking faults produced by shockwave passage. With the advent of massively parallel computers, we have recently studied systems with over six-times larger cross-sectional area and four-times longer distance of run to the steady state (approximately 270,000 atoms). We have seen that the increased cross-section allows the system to slip along both available forward slip systems, in different places along the now non-planar shock front, though only one stacking fault survives. This leads us to attempt simulations with even larger cross-sectional areas, and with pre-existing defects embedded in the sample, such as those we will report on here (36-times larger cross-sectional area: 10 million atoms). We report on shock waves in fcc copper, where the atoms interact via an EAM (embedded-atom-method) many-body potential, as well as pair-potential materials.(B.L. Holian, P.S. Lomdahl, S.J. Zhou, D.M. Beazley, and A.F. Voter, (1997, unpublished).)

Freshwater monsoon related inputs in the Japan Sea: a diatom record from IODP core U1427

NASA Astrophysics Data System (ADS)

Ventura, C. P. L.; Lopes, C.

2016-12-01

Monsoon rainfall is the life-blood of more than half the world's population. Extensive research is being conducted in order to refine projections regarding the impact of anthropogenic climate change on these systems. The East Asian monsoon (EAM) plays a significant role in large-scale climate variability. Due to its importance to global climate and world's population, there is an urgent need for greater understanding of this system, especially during past climate changes. The input of freshwater from the monsoon precipitation brings specific markers, such as freshwater diatoms and specific diatom ecological assemblages that are preserved in marine sediments. Freshwater diatoms are easily identifiable and have been used in the North Pacific to reconstruct environmental conditions (Lopes et al 2006) and flooding episodes (Lopes and Mix, 2009). Here we show preliminary results of freshwater diatoms records that are linked with river discharge due to increase land rainfall that can be derived from Monsoon rainfall. We extend our preliminary study to the past 400ky.

Particle injector for fluid systems

DOEpatents

Ruch, Jeffrey F.

1997-01-01

A particle injector device provides injection of particles into a liquid eam. The device includes a funnel portion comprising a conical member having side walls tapering from a top opening (which receives the particles) down to a relatively smaller exit opening. A funnel inlet receives a portion of the liquid stream and the latter is directed onto the side walls of the conical member so as to create a cushion of liquid against which the particles impact. A main section of the device includes an inlet port in communication with the exit opening of the funnel portion. A main liquid inlet receives the main portion of the liquid stream at high pressure and low velocity and a throat region located downstream of the main liquid inlet accelerates liquid received by this inlet from the low velocity to a higher velocity so as to create a low pressure area at the exit opening of the funnel portion. An outlet opening of the main section enables the particles and liquid stream to exit from the injector device.

TU-A-210-02: HIFU: Why Should a Radiation Oncology Physicist Pay Attention?

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

Schlesinger, D.

High-intensity focused ultrasound (HIFU) has developed rapidly in recent years and is used frequently for clinical treatments in Asia and Europe with increasing clinical use and clinical trial activity in the US, making it an important medical technology with which the medical physics community must become familiar. Akin to medical devices that deliver treatments using ionizing radiation, HIFU relies on emitter geometry to non-invasively form a tight focus that can be used to affect diseased tissue while leaving healthy tissue intact. HIFU is unique in that it does not involve the use of ionizing radiation, it causes thermal necrosis inmore » 100% of the treated tissue volume, and it has an immediate treatment effect. However, because it is an application of ultrasound energy, HIFU interacts strongly with tissue interfaces, which makes treatment planning challenging. In order to appreciate the advantages and disadvantages of HIFU as a thermal therapy, it is important to understand the underlying physics of ultrasound tissue interactions. The first lecture in the session will provide an overview of the physics of ultrasound wave propagation; the mechanism for the accumulation of heat in soft-tissue; image-guidance modalities including temperature monitoring; current clinical applications and commercial devices; active clinical trials; alternate mechanisms of action (future of FUS). The second part of the session will compare HIFU to existing ionization radiation techniques. The difficulties in defining a clear concept of absorbed dose for HIFU will be discussed. Some of the technical challenges that HIFU faces will be described, with an emphasis on how the experience of radiation oncology physicists could benefit the field. Learning Objectives: Describe the basic physics and biology of HIFU, including treatment delivery and image guidance techniques. Summarize existing and emerging clinical applications and manufacturers for HIFU. Understand that thermal ablation with HIFU is likely the first of several applications of the technology Learn about some similarities and differences between HIFU and ionizing radiation in terms of physics and biological effects. Learn about some of the technical challenges HIFU faces that might benefit from the experience of radiation oncology physicists including treatment planning improvements, quality assurance procedures, and treatment risk analysis. David Schlesinger receives research support from Elekta Instruments, AB. Matt Eames is an employee of the Focused Ultrasound Foundation which supports research and clinical trials. Dr. Eames conducts research which is supported by the Focused Ultrasound Foundation.« less

Growth of bacterial phytopathogens in animal manures.

PubMed

Sledz, Wojciech; Zoledowska, Sabina; Motyka, Agata; Kadziński, Leszek; Banecki, Bogdan

2017-01-01

Animal manures are routinely applied to agricultural lands to improve crop yield, but the possibility to spread bacterial phytopathogens through field fertilization has not been considered yet. We monitored 49 cattle, horse, swine, sheep or chicken manure samples collected in 14 Polish voivodeships for the most important plant pathogenic bacteria - Ralstonia solanacearum (Rsol), Xanthomonas campestris pv. campestris (Xcc), Pectobacterium carotovorum subsp. carotovorum (Pcc), Pectobacterium atrosepticum (Pba), Erwinia amylovora (Eam), Clavibacter michiganensis subsp. sepedonicus (Cms) and Dickeya sp. (Dsp). All of the tested animal fertilizers were free of these pathogens. Subsequently, the growth dynamics of Pba, Pcc, Rsol, and Xcc in cattle, horse, swine, sheep and chicken manures sterilized either by autoclaving or filtration was evaluated. The investigated phytopathogens did not exhibit any growth in the poultry manure. However, the manure filtrates originating from other animals were suitable for microbial growth, which resulted in the optical density change of 0.03-0.22 reached within 26 h (48 h Rsol, 120 h Xcc), depending on bacterial species and the manure source. Pcc and Pba multiplied most efficiently in the cattle manure filtrate. These bacteria grew faster than Rsol and Xcc in all the tested manure samples, both the filtrates and the autoclaved semi-solid ones. Though the growth dynamics of investigated strains in different animal fertilizers was unequal, all of the tested bacterial plant pathogens were proven to use cattle, horse, swine and sheep manures as the sources of nutrients. These findings may contribute to further research on the alternative routes of spread of bacterial phytopathogens, especially because of the fact that the control of pectionolytic bacteria is only based on preventive methods.

Results of closed cycle MHD power generation tests with a helium-cesium working fluid

NASA Technical Reports Server (NTRS)

Sovie, R. J.

1977-01-01

The cross-sectional dimensions of the MHD channel in the NASA Lewis closed loop facility have been reduced to 3.8 x 11.4 cm. Tests were run in this channel using a helium-cesium working fluid at stagnation pressures of 1.6 x 10 to the 5th N/sq m, stagnation temperatures of 2000-2060 K and an entrance Mach number of 0.36. In these tests Faraday open circuit voltages of 200 V were measured which correspond to a Faraday field of 1750 V/m. Power generation tests were run for different groups of electrode configurations and channel lengths. Hall fields up to 1450 V/m were generated. Power extraction per electrode of 183 W and power densities of 1.7 MW/cu m have been obtained. A total power output of 2 kW was generated for tests with 14 electrodes. The power densities obtained in this channel represent a factor of 3 improvement over those reported for the m = 0.2 channel at the last EAM Symposium.

Protective Effect of Eburicoic Acid of the Chicken of the Woods Mushroom, Laetiporus sulphureus (Higher Basidiomycetes), Against Gastric Ulcers in Mice.

PubMed

Wang, Junzhi; Sun, Wenjun; Luo, Huajun; He, Haibo; Deng, Weiqiao; Zou, Kun; Liu, Can; Song, Jing; Huang, Wenfeng

2015-01-01

In this study, we investigated the anti-inflammatory and tumor-inhibiting effects of eburicoic acid, the main bioactive component in the Laetiporus sulphureus, on gastric ulcers. A total of 48 Kunming mice were randomly divided into six groups: control, model, OL (omeprazole, 20 mg/kg/day, orally), EA-L (eburicoic acid, 10 mg/kg/day, orally), EA-M (eburicoic acid, 20 mg/kg/day, orally), and EA-H (eburicoic acid, 40 mg/kg/day, orally). Gastric ulcers were induced in mice by administering 80% ethanol containing 15 mg/mL aspirin (10.0 mL/kg, i.g.) 4 hours after drug administration on day 5. The ulcer index and H+/K+-ATPase activity were evaluated in vivo. Computer-aided molecular docking simulated the interaction between eburicoic acid and H+/K+-ATPase. The results showed that the oral administration of eburicoic acid protected the gastric mucosa from gastric lesions morphologically and especially attenuated H+/K+-ATPase activity. The results of this study indicate that the gastric protective effect of eburicoic acid might inhibit gastric acid.

Evolutionary Agent-based Models to design distributed water management strategies

NASA Astrophysics Data System (ADS)

Giuliani, M.; Castelletti, A.; Reed, P. M.

2012-12-01

There is growing awareness in the scientific community that the traditional centralized approach to water resources management, as described in much of the water resources literature, provides an ideal optimal solution, which is certainly useful to quantify the best physically achievable performance, but is generally inapplicable. Most real world water resources management problems are indeed characterized by the presence of multiple, distributed and institutionally-independent decision-makers. Multi-Agent Systems provide a potentially more realistic alternative framework to model multiple and self-interested decision-makers in a credible context. Each decision-maker can be represented by an agent who, being self-interested, acts according to local objective functions and produces negative externalities on system level objectives. Different levels of coordination can potentially be included in the framework by designing coordination mechanisms to drive the current decision-making structure toward the global system efficiency. Yet, the identification of effective coordination strategies can be particularly complex in modern institutional contexts and current practice is dependent on largely ad-hoc coordination strategies. In this work we propose a novel Evolutionary Agent-based Modeling (EAM) framework that enables a mapping of fully uncoordinated and centrally coordinated solutions into their relative "many-objective" tradeoffs using multiobjective evolutionary algorithms. Then, by analysing the conflicts between local individual agent and global system level objectives it is possible to more fully understand the causes, consequences, and potential solution strategies for coordination failures. Game-theoretic criteria have value for identifying the most interesting alternatives from a policy making point of view as well as the coordination mechanisms that can be applied to obtain these interesting solutions. The proposed approach is numerically tested on a synthetic case study, representing a Y-shaped system composed by two regulated lakes, whose releases merge just upstream of a city. Each reservoir is operated by an agent in order to prevent floods along the lake shores (local objective). However, the optimal operation of the reservoirs with respect to the local objectives is conflicting with the minimization of floods in the city (global objective). The evolution of the Agent-based Model from individualistic management strategies of the reservoirs toward a global compromise that reduces the costs for the city is analysed.

First evidence of denitrification vis-à-vis monsoon in the Arabian Sea since Late Miocene.

PubMed

Tripathi, Shubham; Tiwari, Manish; Lee, Jongmin; Khim, Boo-Keun

2017-02-21

In the Arabian Sea, South Asian monsoon (SAM)-induced high surface water productivity coupled with poor ventilation of intermediate water results in strong denitrification within the oxygen minimum zone (OMZ). Despite the significance of denitrification in the Arabian Sea, we have no long-term record of its evolution spanning the past several million years. Here, we present the first record of denitrification evolution since Late Miocene (~10.2 Ma) in the Eastern Arabian Sea, where the SAM generates moderate surface water productivity, based on the samples retrieved during the International Ocean Discovery Program (IODP) Expedition 355. We find that (i) the SAM was persistently weaker from ~10.2 to 3.1 Ma; it did not intensify at ~8 Ma in contrast to a few previous studies, (ii) on tectonic timescale, both the SAM and the East Asian Monsoon (EAM) varied synchronously, (iii) the first evidence of denitrification and productivity/SAM intensification was at ~3.2-2.8 Ma that coincided with Mid-Pliocene Warm Period (MPWP), and (iv) the modern strength of the OMZ where denitrification is a permanent feature was attained at ~1.0 Ma.

First evidence of denitrification vis-à-vis monsoon in the Arabian Sea since Late Miocene

NASA Astrophysics Data System (ADS)

Tripathi, Shubham; Tiwari, Manish; Lee, Jongmin; Khim, Boo-Keun; Pandey, Dhananjai K.; Clift, Peter D.; Kulhanek, Denise K.; Andò, Sergio; Bendle, James A. P.; Aharonovich, Sophia; Griffith, Elizabeth M.; Gurumurthy, Gundiga P.; Hahn, Annette; Iwai, Masao; Kumar, Anil; Kumar, A. Ganesh; Liddy, Hannah M.; Lu, Huayu; Lyle, Mitchell W.; Mishra, Ravi; Radhakrishna, Tallavajhala; Routledge, Claire M.; Saraswat, Rajeev; Saxena, Rakesh; Scardia, Giancarlo; Sharma, Girish K.; Singh, Arun D.; Steinke, Stephan; Suzuki, Kenta; Tauxe, Lisa; Xu, Zhaokai; Yu, Zhaojie

2017-02-01

In the Arabian Sea, South Asian monsoon (SAM)-induced high surface water productivity coupled with poor ventilation of intermediate water results in strong denitrification within the oxygen minimum zone (OMZ). Despite the significance of denitrification in the Arabian Sea, we have no long-term record of its evolution spanning the past several million years. Here, we present the first record of denitrification evolution since Late Miocene (~10.2 Ma) in the Eastern Arabian Sea, where the SAM generates moderate surface water productivity, based on the samples retrieved during the International Ocean Discovery Program (IODP) Expedition 355. We find that (i) the SAM was persistently weaker from ~10.2 to 3.1 Ma it did not intensify at ~8 Ma in contrast to a few previous studies, (ii) on tectonic timescale, both the SAM and the East Asian Monsoon (EAM) varied synchronously, (iii) the first evidence of denitrification and productivity/SAM intensification was at ~3.2-2.8 Ma that coincided with Mid-Pliocene Warm Period (MPWP), and (iv) the modern strength of the OMZ where denitrification is a permanent feature was attained at ~1.0 Ma.

Endoscopic neurosurgery "around the corner" with a rigid endoscope. Technical note.

PubMed

Hopf, N J

1999-03-01

Endoscopically "working around the corner" is presently restricted to the use of flexible endoscopes or an endoscope-assisted microneurosurgical (EAM) technique. In order to overcome the limitations of these solutions, endoscopic equipment and techniques were developed for "working around the corner" with rigid endoscopes. A steering insert with a 5 French working channel is capable of steering instruments around the corner by actively bending the guiding track and consecutively the instrument. A special fixation device enables strict axial rotation of the endoscope in the operating field. Endoscopic procedures "around the corner", including aqueductal stenting, pellucidotomy, third ventriculostomy and biopsy were performed in human cadavers. Special features of the used pediatric neuroendoscope system, i.e., reliable fixation, axial rotation, and controlled steering of instruments, increase the safety and reduce the surgical traumatization in selected cases, such as obstructive hydrocephalus due to a mass lesion in the posterior third ventricle, since endoscopic third ventriculostomy and biopsy can be performed through the same burr hole trephination. Limitations of this technique are given by the size of the foramen of Monro and the height of the third ventricle as well as by the bending angle of the instruments (40-50 degrees).

Alpine glacier change in the Eastern Altun mountains of Northwest China during 1972-2010.

PubMed

Yu, Xinyang; Lu, Changhe

2015-01-01

Accurately mapping and monitoring glacier changes over decades is important for providing information to support sustainable use of water resource in arid regions of northwest China. Since 1970, glaciers in the Eastern Altun Mountains showed remarkable recession. Further study is indispensable to indicate the extent and amplitude of glacial change at basin and individual glacier scale. In this study, spatiotemporal glacier changes referring to the year 1972, 1990, 2000 and 2010 were studied for the Eastern Altun Mountains using Landsat MSS/TM/ETM+ images and glacier volume-area scaling. The results demonstrated that the total area and volume of glaciers in EAMs decreased significantly by 10.70±0.57 km² (19.56±10.41%) and 0.61±0.03 km³ (23.19±11.40%) during 1972-2010, respectively. More than half of the total receding area occurred during 1990-2000, primarily due to higher temperature increasing. However, varied response of individual glaciers indicated that glacier change was also affected by glacier dynamics, which was related to local topography. In addition, five glaciers unrecorded in the glacier inventory of China were reported in this study.

Alpine Glacier Change in the Eastern Altun Mountains of Northwest China during 1972-2010

PubMed Central

Yu, Xinyang; Lu, Changhe

2015-01-01

Accurately mapping and monitoring glacier changes over decades is important for providing information to support sustainable use of water resource in arid regions of northwest China. Since 1970, glaciers in the Eastern Altun Mountains showed remarkable recession. Further study is indispensable to indicate the extent and amplitude of glacial change at basin and individual glacier scale. In this study, spatiotemporal glacier changes referring to the year 1972, 1990, 2000 and 2010 were studied for the Eastern Altun Mountains using Landsat MSS/TM/ETM+ images and glacier volume-area scaling. The results demonstrated that the total area and volume of glaciers in EAMs decreased significantly by 10.70±0.57 km² (19.56±10.41%) and 0.61±0.03 km³ (23.19±11.40%) during 1972–2010, respectively. More than half of the total receding area occurred during 1990–2000, primarily due to higher temperature increasing. However, varied response of individual glaciers indicated that glacier change was also affected by glacier dynamics, which was related to local topography. In addition, five glaciers unrecorded in the glacier inventory of China were reported in this study. PMID:25723669

Patient- and Family-Centered Care as an approach to reducing disparities in asthma outcomes in urban African American children: A review of the literature.

PubMed

Harper, Felicity W K; Eggly, Susan; Crider, Beverly; Kobayashi, Hitomi; Kathleen, R N; Meert, L; Ball, Allison; Penner, Louis A; Gray, Herman; Albrecht, Terrance L

2015-06-01

We thank Cathy Eames (Director, Library Services, Detroit Medical Center) for valuable input and assistance with the search strategy. Funding for this research was supported by a grant from Children's Hospital of Michigan Research Foundation (Principal Investigator: Terrance L. Albrecht, Ph.D.). Patient- and family-centered care (PFCC) has the potential to address disparities in access and quality of healthcare for African American pediatric asthma patients by accommodating and responding to the individual needs of patients and families. To identify and evaluate research on the impact of family-provider interventions that reflect elements of PFCC on reducing disparities in the provision, access, quality, and use of healthcare services for African American pediatric asthma patients. Electronic searches were conducted using PubMed, CINAHL, and Psyclnfo databases. Inclusion criteria were peer-reviewed, English-language articles on family-provider interventions that (a) reflected one or more elements of PFCC and (b) addressed healthcare disparities in urban African American pediatric asthma patients (≤18years). Thirteen interventions or programs were identified and reviewed. Designs included randomized clinical trials, controlled clinical trials, pre- and post-interventions, and program evaluations. Few interventions were identified as explicitly providing PFCC in a pediatric asthma context, possibly because of a lack of consensus on what constitutes PFCC in practice. Some studies have demonstrated that PFCC improves satisfaction and communication during clinical interactions. More empirical research is needed to understand whether PFCC interventions reduce care disparities and improve the provision, access, and quality of asthma healthcare for urban African American children. PubMed, CINAHL, and Psyclnfo AA-African American: CCT-Controlled clinical trial; ED-Emergency Department; ETS-Environmental tobacco smoke; FCC- Family Centered Care; PFCC-Patient and Family Centered Care; RCT- Randomized, controlled trial. © 2015 National Medical Association. Published by Elsevier Inc. All rights reserved.

Highly efficient molecular simulation methods for evaluation of thermodynamic properties of crystalline phases

NASA Astrophysics Data System (ADS)

Moustafa, Sabry Gad Al-Hak Mohammad

Molecular simulation (MS) methods (e.g. Monte Carlo (MC) and molecular dynamics (MD)) provide a reliable tool (especially at extreme conditions) to measure solid properties. However, measuring them accurately and efficiently (smallest uncertainty for a given time) using MS can be a big challenge especially with ab initio-type models. In addition, comparing with experimental results through extrapolating properties from finite size to the thermodynamic limit can be a critical obstacle. We first estimate the free energy (FE) of crystalline system of simple discontinuous potential, hard-spheres (HS), at its melting condition. Several approaches are explored to determine the most efficient route. The comparison study shows a considerable improvement in efficiency over the standard MS methods that are known for solid phases. In addition, we were able to accurately extrapolate to the thermodynamic limit using relatively small system sizes. Although the method is applied to HS model, it is readily extended to more complex hard-body potentials, such as hard tetrahedra. The harmonic approximation of the potential energy surface is usually an accurate model (especially at low temperature and large density) to describe many realistic solid phases. In addition, since the analysis is done numerically the method is relatively cheap. Here, we apply lattice dynamics (LD) techniques to get the FE of clathrate hydrates structures. Rigid-bonds model is assumed to describe water molecules; this, however, requires additional orientation degree-of-freedom in order to specify each molecule. However, we were able to efficiently avoid using those degrees of freedom through a mathematical transformation that only uses the atomic coordinates of water molecules. In addition, the proton-disorder nature of hydrate water networks adds extra complexity to the problem, especially when extrapolating to the thermodynamic limit is needed. The finite-size effects of the proton disorder contribution is shown to vary slowly with system-size. This allow us to get the FE in the thermodynamic limit by extrapolating the one isomer results to infinity and correct for that by the effect from considering proton-disorder measured at a small system. These techniques are applied to empty hydrates (of types: SI, SII, and SH) to estimate their thermodynamic stability. For conditions where the harmonic model fails, performing MS is needed to estimate rigorously the full (harmonic plus anharmonic) quantity. Although several MS methods are available for that purpose, they do not benefit from the harmonic nature of crystals---which represents the main contribution and is cheap to compute. In other words, those "conventional" methods always "start from scratch" even at states where anharmonic part is negligible. In this work, we develop very efficient MS methods that leverage information, on-the-fly, from the harmonic behavior of configurations such that the anharmonic contributions are directly measured. The approach is named harmonically-mapped averaging (HMA) for the rest of this thesis. Since the major contribution of thermodynamic properties comes from the harmonic nature of crystal, the fluctuations in the anharmonic quantities is to be small; hence, uncertainty associated with the HMA method is small. The HMA method is given in a general formulation such that it can handle properties related to both first- and second-derivatives of free energy. The HMA approach is first applied to Lennard-Jones (LJ) model. First- and second-derivatives of FE with respect to temperature and volume yield the following properties: energy, pressure, isochoric heat capacity, bulk modulus, and thermal pressure coefficient. A considerable improvement in the efficiency of measuring those properties is observed even at melting conditions where anharmonicity is non-negligible. First-derivative properties are computed with 100 to 10,000 times less computational effort, while speedup for the second-derivative properties exceeds a millionfold for the highest density examined. In addition, the finite-size and long-range cutoff effects of the anharmonic contribution is much smaller than those due to harmonic part. Therefore, we were able to get the thermodynamic limit of thermodynamic properties by extrapolating the harmonic contribution to infinity and fix that with the anharmonic contribution from MS of small systems. Moreover, the anharmonic trajectory shows better features than the conventional one; it equilibrates almost instantaneously and data is less correlated (i.e. good statistics can be obtained with shorter trajectory). As a byproduct of the HMA, the free energy along an isochore is computed using thermodynamic integration (TI) technique of energy. Again, the HMA shows substantial improvement (50--1000 speedup) over the well-known Frenkel-Ladd integration (with Einstein crystal reference) method. Finally, to test the method against a more sophisticated model, we applied it to an embedded-atom-model (EAM) model of iron system. The results show a qualitatively similar behavior as that of LJ model. Finally, the method is applied to tackle one of the long-standing problems of Earth science; namely, the crystal structure of the Earth's inner core (IC). (Abstract shortened by UMI.).

Fully integrated multi-optoelectronic synthesizer for THz pumping source in wireless communications with rich backup redundancy and wide tuning range.

PubMed

Xu, Junjie; Hou, Lianping; Deng, Qiufang; Han, Liangshun; Liang, Song; Marsh, John H; Zhu, Hongliang

2016-07-06

We report a monolithic photonic integrated circuit (PIC) for THz communication applications. The PIC generates up to 4 optical frequency lines which can be mixed in a separate device to generate THz radiation, and each of the optical lines can be modulated individually to encode data. Physically, the PIC comprises an array of wavelength tunable distributed feedback lasers each with its own electro-absorption modulator. The lasers are designed with a long cavity to operate with a narrow linewidth, typically <4 MHz. The light from the lasers is coupled via an multimode interference (MMI) coupler into a semiconductor optical amplifier (SOA). By appropriate selection and biasing of pairs of lasers, the optical beat signal can be tuned continuously over the range from 0.254 THz to 2.723 THz. The EAM of each channel enables signal leveling balanced between the lasers and realizing data encoding, currently at data rates up to 6.5 Gb/s. The PIC is fabricated using regrowth-free techniques, making it economic for volume applications, such for use in data centers. The PIC also has a degree of redundancy, making it suitable for applications, such as inter-satellite communications, where high reliability is mandatory.

Amniotic membrane scaffolds enable the development of tissue-engineered urothelium with molecular and ultrastructural properties comparable to that of native urothelium.

PubMed

Jerman, Urška Dragin; Veranič, Peter; Kreft, Mateja Erdani

2014-04-01

The amniotic membrane (AM) is a naturally derived biomaterial that possesses biological and mechanical properties of great importance for tissue engineering. The aim of our study was to determine whether the AM enables the formation of a normal urinary bladder epithelium-urothelium--and to reveal any differences in the urothelial cell (UC) growth and differentiation when using different AM scaffolds. Cryopreserved human AM was used as a scaffold in three different ways. Normal porcine UCs were seeded on the AM epithelium (eAM), denuded AM (dAM), and stromal AM (sAM) and were cultured for 3 weeks. UC growth on AM scaffolds was monitored daily. By using electron microscopy, histochemical and immunofluorescence techniques, we here provide evidence that all three AM scaffolds enable the development of the urothelium. The fastest growth and the highest differentiation of UCs were demonstrated on the sAM scaffold, which enables the development of tissue-engineered urothelium with molecular and ultrastructural properties comparable to that of the native urothelium. Most importantly, the highly differentiated urothelia on the sAM scaffolds provide important experimental models for future drug delivery studies and developing tissue engineering strategies considering that subtle differences are identified before translation to the clinical settings.

An Enhanced Adaptive Management Approach for Remediation of Legacy Mercury in the South River

PubMed Central

Foran, Christy M.; Baker, Kelsie M.; Grosso, Nancy R.; Linkov, Igor

2015-01-01

Uncertainties about future conditions and the effects of chosen actions, as well as increasing resource scarcity, have been driving forces in the utilization of adaptive management strategies. However, many applications of adaptive management have been criticized for a number of shortcomings, including a limited ability to learn from actions and a lack of consideration of stakeholder objectives. To address these criticisms, we supplement existing adaptive management approaches with a decision-analytical approach that first informs the initial selection of management alternatives and then allows for periodic re-evaluation or phased implementation of management alternatives based on monitoring information and incorporation of stakeholder values. We describe the application of this enhanced adaptive management (EAM) framework to compare remedial alternatives for mercury in the South River, based on an understanding of the loading and behavior of mercury in the South River near Waynesboro, VA. The outcomes show that the ranking of remedial alternatives is influenced by uncertainty in the mercury loading model, by the relative importance placed on different criteria, and by cost estimates. The process itself demonstrates that a decision model can link project performance criteria, decision-maker preferences, environmental models, and short- and long-term monitoring information with management choices to help shape a remediation approach that provides useful information for adaptive, incremental implementation. PMID:25665032

Transcriptional response of Erwinia amylovora to copper shock: in vivo role of the copA gene.

PubMed

Águila-Clares, Begoña; Castiblanco, Luisa F; Quesada, José Miguel; Penyalver, Ramón; Carbonell, Juan; López, María M; Marco-Noales, Ester; Sundin, George W

2018-01-01

Fire blight is a devastating plant disease caused by the bacterium Erwinia amylovora, and its control is frequently based on the use of copper-based compounds whose mechanisms of action are not well known. Consequently, in this article, we investigate the response of E. amylovora to copper shock by a whole-genome microarray approach. Transcriptional analyses showed that, in the presence of copper, 23 genes were increased in expression; these genes were classified mainly into the transport and stress functional categories. Among them, the copA gene was strongly induced and regulated in a finely tuned manner by copper. Mutation of copA, soxS, arcB, yjcE, ygcF, yhhQ, galF and EAM_3469 genes revealed that tolerance to copper in E. amylovora can be achieved by complex physiological mechanisms, including: (i) the control of copper homeostasis through, at least, the extrusion of Cu(I) by a P-type ATPase efflux pump CopA; and (ii) the overcoming of copper toxicity caused by oxidative stress by the expression of several reactive oxygen species (ROS)-related genes, including the two major transcriptional factors SoxS and ArcB. Furthermore, complementation analyses demonstrated the important role of copA for copper tolerance in E. amylovora, not only in vitro, but also in inoculated pear shoots. © 2016 BSPP AND JOHN WILEY & SONS LTD.

Effective Acceleration Model for the Arrival Time of Interplanetary Shocks driven by Coronal Mass Ejections

NASA Astrophysics Data System (ADS)

Paouris, Evangelos; Mavromichalaki, Helen

2017-12-01

In a previous work (Paouris and Mavromichalaki in Solar Phys. 292, 30, 2017), we presented a total of 266 interplanetary coronal mass ejections (ICMEs) with as much information as possible. We developed a new empirical model for estimating the acceleration of these events in the interplanetary medium from this analysis. In this work, we present a new approach on the effective acceleration model (EAM) for predicting the arrival time of the shock that preceds a CME, using data of a total of 214 ICMEs. For the first time, the projection effects of the linear speed of CMEs are taken into account in this empirical model, which significantly improves the prediction of the arrival time of the shock. In particular, the mean value of the time difference between the observed time of the shock and the predicted time was equal to +3.03 hours with a mean absolute error (MAE) of 18.58 hours and a root mean squared error (RMSE) of 22.47 hours. After the improvement of this model, the mean value of the time difference is decreased to -0.28 hours with an MAE of 17.65 hours and an RMSE of 21.55 hours. This improved version was applied to a set of three recent Earth-directed CMEs reported in May, June, and July of 2017, and we compare our results with the values predicted by other related models.

Detect signals of interdecadal climate variations from an enhanced suite of reconstructed precipitation products since 1850 using the historical station data from Global Historical Climatology Network and the dynamical patterns derived from Global Precipitation Climatology Project

NASA Astrophysics Data System (ADS)

Shen, S. S.

2015-12-01

This presentation describes the detection of interdecadal climate signals in a newly reconstructed precipitation data from 1850-present. Examples are on precipitation signatures of East Asian Monsoon (EAM), Pacific Decadal Oscillation (PDO) and Atlantic Multidecadal Oscillations (AMO). The new reconstruction dataset is an enhanced edition of a suite of global precipitation products reconstructed by Spectral Optimal Gridding of Precipitation Version 1.0 (SOGP 1.0). The maximum temporal coverage is 1850-present and the spatial coverage is quasi-global (75S, 75N). This enhanced version has three different temporal resolutions (5-day, monthly, and annual) and two different spatial resolutions (2.5 deg and 5.0 deg). It also has a friendly Graphical User Interface (GUI). SOGP uses a multivariate regression method using an empirical orthogonal function (EOF) expansion. The Global Precipitation Climatology Project (GPCP) precipitation data from 1981-20010 are used to calculate the EOFs. The Global Historical Climatology Network (GHCN) gridded data are used to calculate the regression coefficients for reconstructions. The sampling errors of the reconstruction are analyzed according to the number of EOF modes used in the reconstruction. Our reconstructed 1900-2011 time series of the global average annual precipitation shows a 0.024 (mm/day)/100a trend, which is very close to the trend derived from the mean of 25 models of the CMIP5 (Coupled Model Intercomparison Project Phase 5). Our reconstruction has been validated by GPCP data after 1979. Our reconstruction successfully displays the 1877 El Nino (see the attached figure), which is considered a validation before 1900. Our precipitation products are publically available online, including digital data, precipitation animations, computer codes, readme files, and the user manual. This work is a joint effort of San Diego State University (Sam Shen, Gregori Clarke, Christian Junjinger, Nancy Tafolla, Barbara Sperberg, and Melanie Thorn), UCLA (Yongkang Xue), and University of Maryland (Tom Smith and Phil Arkin) and supported in part by the U.S. National Science Foundation (Awards No. AGS-1419256 and AGS-1015957).

SU-C-202-03: A Tool for Automatic Calculation of Delivered Dose Variation for Off-Line Adaptive Therapy Using Cone Beam CT

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

Zhang, B; Lee, S; Chen, S

Purpose: Monitoring the delivered dose is an important task for the adaptive radiotherapy (ART) and for determining time to re-plan. A software tool which enables automatic delivered dose calculation using cone-beam CT (CBCT) has been developed and tested. Methods: The tool consists of four components: a CBCT Colleting Module (CCM), a Plan Registration Moduel (PRM), a Dose Calculation Module (DCM), and an Evaluation and Action Module (EAM). The CCM is triggered periodically (e.g. every 1:00 AM) to search for newly acquired CBCTs of patients of interest and then export the DICOM files of the images and related registrations defined inmore » ARIA followed by triggering the PRM. The PRM imports the DICOM images and registrations, links the CBCTs to the related treatment plan of the patient in the planning system (RayStation V4.5, RaySearch, Stockholm, Sweden). A pre-determined CT-to-density table is automatically generated for dose calculation. Current version of the DCM uses a rigid registration which regards the treatment isocenter of the CBCT to be the isocenter of the treatment plan. Then it starts the dose calculation automatically. The AEM evaluates the plan using pre-determined plan evaluation parameters: PTV dose-volume metrics and critical organ doses. The tool has been tested for 10 patients. Results: Automatic plans are generated and saved in the order of the treatment dates of the Adaptive Planning module of the RayStation planning system, without any manual intervention. Once the CTV dose deviates more than 3%, both email and page alerts are sent to the physician and the physicist of the patient so that one can look the case closely. Conclusion: The tool is capable to perform automatic dose tracking and to alert clinicians when an action is needed. It is clinically useful for off-line adaptive therapy to catch any gross error. Practical way of determining alarming level for OAR is under development.« less

Impact of numerical choices on water conservation in the E3SM Atmosphere Model Version 1 (EAM V1)

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

Zhang, Kai; Rasch, Philip J.; Taylor, Mark A.

The conservation of total water is an important numerical feature for global Earth system models. Even small conservation problems in the water budget can lead to systematic errors in century-long simulations for sea level rise projection. This study quantifies and reduces various sources of water conservation error in the atmosphere component of the Energy Exascale Earth System Model. Several sources of water conservation error have been identified during the development of the version 1 (V1) model. The largest errors result from the numerical coupling between the resolved dynamics and the parameterized sub-grid physics. A hybrid coupling using different methods formore » fluid dynamics and tracer transport provides a reduction of water conservation error by a factor of 50 at 1° horizontal resolution as well as consistent improvements at other resolutions. The second largest error source is the use of an overly simplified relationship between the surface moisture flux and latent heat flux at the interface between the host model and the turbulence parameterization. This error can be prevented by applying the same (correct) relationship throughout the entire model. Two additional types of conservation error that result from correcting the surface moisture flux and clipping negative water concentrations can be avoided by using mass-conserving fixers. With all four error sources addressed, the water conservation error in the V1 model is negligible and insensitive to the horizontal resolution. The associated changes in the long-term statistics of the main atmospheric features are small. A sensitivity analysis is carried out to show that the magnitudes of the conservation errors decrease strongly with temporal resolution but increase with horizontal resolution. The increased vertical resolution in the new model results in a very thin model layer at the Earth’s surface, which amplifies the conservation error associated with the surface moisture flux correction. We note that for some of the identified error sources, the proposed fixers are remedies rather than solutions to the problems at their roots. Future improvements in time integration would be beneficial for this model.« less

Influence of pendant chiral C(γ)-(alkylideneamino/guanidino) cationic side-chains of PNA backbone on hybridization with complementary DNA/RNA and cell permeability.

PubMed

Jain, Deepak R; Anandi V, Libi; Lahiri, Mayurika; Ganesh, Krishna N

2014-10-17

Intrinsically cationic and chiral C(γ)-substituted peptide nucleic acid (PNA) analogues have been synthesized in the form of γ(S)-ethyleneamino (eam)- and γ(S)-ethyleneguanidino (egd)-PNA with two carbon spacers from the backbone. The relative stabilization (ΔTm) of duplexes from modified cationic PNAs as compared to 2-aminoethylglycyl (aeg)-PNA is better with complementary DNA (PNA:DNA) than with complementary RNA (PNA:RNA). Inherently, PNA:RNA duplexes have higher stability than PNA:DNA duplexes, and the guanidino PNAs are superior to amino PNAs. The cationic PNAs were found to be specific toward their complementary DNA target as seen from their significantly lower binding with DNA having single base mismatch. The differential binding avidity of cationic PNAs was assessed by the displacement of DNA duplex intercalated ethidium bromide and gel electrophoresis. The live cell imaging of amino/guanidino PNAs demonstrated their ability to penetrate the cell membrane in 3T3 and MCF-7 cells, and cationic PNAs were found to be accumulated in the vicinity of the nuclear membrane in the cytoplasm. Fluorescence-activated cell sorter (FACS) analysis of cell permeability showed the efficiency to be dependent upon the nature of cationic functional group, with guanidino PNAs being better than the amino PNAs in both cell lines. The results are useful to design new biofunctional cationic PNA analogues that not only bind RNA better but also show improved cell permeability.

Pharmacological characterization of emerging synthetic cannabinoids in HEK293T cells and hippocampal neurons.

PubMed

Costain, Willard J; Tauskela, Joseph S; Rasquinha, Ingrid; Comas, Tanya; Hewitt, Melissa; Marleau, Vincent; Soo, Evelyn C

2016-09-05

There has been a worldwide proliferation of synthetic cannabinoids that have become marketed as legal alternatives to cannabis (marijuana). Unfortunately, there is a dearth of information about the pharmacological effects of many of these emerging synthetic cannabinoids (ESCs), which presents a challenge for regulatory authorities that need to take such scientific evidence into consideration in order to regulate ECSs as controlled substances. We aimed to characterize the pharmacological properties of ten ESCs using two cell based assays that enabled the determination of potency and efficacy relative to a panel of well-characterized cannabinoids. Agonist-mediated inhibition of forskolin-stimulated cyclic adenosine monophosphate (cAMP) levels was monitored in live HEK293T cells transfected with human cannabinoid receptor 1 gene (CNR1) and pGloSensor-22F. Pharmacological analysis of this data indicated that all of the ESCs tested were full agonists, with the following rank order of potency: Win 55212-2≈5F-PB-22≈AB-PINACA≈EAM-2201≈MAM-2201>JWH-250≈ PB-22>AKB48 N-(5FP)>AKB-48≈STS-135>XLR-11. Assessment of agonist-stimulated depression of Ca(2+) transients was also used to confirm the efficacy of five ESCs (XLR-11, JWH-250, AB-PINACA, 5F-PB-22, and MAM-2201) in cultured primary hippocampal neurons. This work aims to help inform decisions made by regulatory agencies concerned with the profusion of these poorly characterized recreational drugs. Copyright © 2016. Published by Elsevier B.V.

Lunabotics Mining Competition: Inspiration Through Accomplishment

NASA Technical Reports Server (NTRS)

Mueller, Robert P.

2011-01-01

NASA's Lunabotics Mining Competition is designed to promote the development of interest in space activities and STEM (Science, Technology, Engineering, and Mathematics) fields. The competition uses excavation, a necessary first step towards extracting resources from the regolith and building bases on the moon. The unique physical properties of lunar regolith and the reduced 1/6th gravity, vacuum environment make excavation a difficult technical challenge. Advances in lunar regolith mining have the potential to significantly contribute to our nation's space vision and NASA space exploration operations. The competition is conducted annually by NASA at the Kennedy Space Center Visitor Complex. The teams that can use telerobotic or autonomous operation to excavate a lunar regolith geotechnical simulant, herein after referred to as Black Point-1 (or BP-1) and score the most points (calculated as an average of two separate 10-minute timed competition attempts) will eam points towards the Joe Kosmo Award for Excellence and the scores will reflect ranking in the on-site mining category of the competition. The minimum excavation requirement is 10.0 kg during each competition attempt and the robotic excavator, referred to as the "Lunabot", must meet all specifications. This paper will review the achievements of the Lunabotics Mining Competition in 2010 and 2011, and present the new rules for 2012. By providing a framework for robotic design and fabrication, which culminates in a live competition event, university students have been able to produce sophisticated lunabots which are tele-operated. Multi-disciplinary teams are encouraged and the extreme sense of accomplishment provides a unique source of inspiration to the participating students, which has been shown to translate into increased interest in STEM careers. Our industrial sponsors (Caterpillar, Newmont Mining, Harris, Honeybee Robotics) have all stated that there is a strong need for skills in the workforce related to robotics and automated machines. In 2010, 22 United States (US) universities competed, and in May 2011 the competition was opened to international participation, with 46 Universities attending. There were 12 international teams and 34 US teams. This combined total directly inspired an estimated 544 university students. More students and the public were engaged via internet broadcasting and social networking media. This is expected to be of value for actual future space missions, as knowledge is gained from testing many innovative prototypes in simulated lunar regolith. More information is available at www.nasa.gov/lunabotics/.

Permanent-Magnet Free Biasing of MR Sensors with Tunable Sensitivity

NASA Astrophysics Data System (ADS)

Halloran, Sean; Dasilva, Fabio; Pappas, David

2007-03-01

Exchange coupling^1 has been previously observed in a trilayer structure of ferromagnet (FM)/non-magnetic/antiferromagnet (AFM) and the exchange bias was found to be a function of the thickness of the buffer layer.^2,3,4 This unique coupling is used as a stabilizing bias for the sense layer with the additional ability to tailor the magnetic gain of the sensor for various applications. The elimination of permanent magnet bias results in the elimination of one patterning and one deposition step. Ruthenium (Ru) is used as the buffer layer and is self aligned with the FM and AFM layers and the thickness is varied to change the slope of the transfer curve in the linear region. Sensor devices are fabricated with a bipolar output, a medium sensitivity, and a wide field range. The results show that this biasing scheme is well suited for barber pole and soft adjacent layer (SAL) anisotropic magnetoresistance (AMR) stripes used in magnetic field sensors with a FM layer of Permalloy (NiFe) and an AFM layer of Iridium-Manganese (IrMn). Applications include a 256 channel read head used for magnetic forensics. 1N.J. Gokemeijer, T. Ambrose, C.L. Chien, N. Wang and K.K. Fung, J. Appl. Phys. 81 (8), 4999, 15 April 1997. 2W.H. Meiklejohn and C.P. Bean, Phys. Rev. 102, 1413 1956; 105, 904, 1957. 3L. Thomas, A.J. Kellock and S.S.P. Parkin, J. Appl. Phys. 87 (9), 5061, 1 May 2000. 4D. Wang, J. Daughton, C. Nordman, P. Eames and J. Fink, J. Appl. Phys. 99, 2006.

Effects of cottonseed meal supplementation time on ruminal fermentation and forage intake by Holstein steers fed fescue hay.

PubMed

Judkins, M B; Krysl, L J; Barton, R K; Holcombe, D W; Gunter, S A; Broesder, J T

1991-09-01

Four ruminally cannulated Holstein steers (average BW 303 kg) were used in a 4 x 4 Latin square design digestion trial to study the influence of daily cottonseed meal (CSM; 1.6 g of CP/kg of BW) supplementation time on forage intake and ruminal fluid kinetics and fermentation. Steers were housed individually in tie stalls and were fed chopped fescue hay on an ad libitum basis at 0600 and 1400. Treatments were 1) control, grass hay only (CON) and grass hay and CSM fed once daily at 2) 0600 (EAM) 3) 1000 (MAM), or 4) 1400 (PM). Ruminal NH3 N concentrations reflected a time of supplementation x sampling time interaction (P less than .05); CON steers had the lowest (P less than .05) ruminal NH3 N concentrations at all times other than at 0600, 1000, 1200, and 2400, when they did not differ (P greater than .05) from at least one of the supplemented groups. Forage intake, ratio of bacterial purine:N, rate of DM and NDF disappearance, and ruminal fluid kinetics were not influenced (P greater than .05) by supplementation time. Total ruminal VFA differed (P less than .05) between CON and supplemented steers, as well as among supplemented steers (linear and quadratic effects P less than .05). Acetate, propionate, and valerate proportions were influenced (P less than .05) by a sampling time X supplementation time interaction. Under the conditions of this study, greater peak ammonia concentrations with morning supplementation than with afternoon supplementation did not stimulate ruminal fermentation or rate of NDF disappearance.

Habitation Concepts for Human Missions Beyond Low-Earth-Orbit

NASA Technical Reports Server (NTRS)

Smitherman, David V.

2016-01-01

The Advanced Concepts Office at the NASA Marshall Space Flight Center has been engaged for several years in a variety of study activities to help define various options for deep space habitation. This work includes study activities supporting asteroid, lunar and Mars mission activities for the Human spaceflight Architecture Team (HAT), the Deep Space Habitat (DSH) project, and the Exploration Augmentation Module (EAM) project through the NASA Advanced Exploration Systems (AES) Program. The missions under consideration required human habitation beyond low-Earth-orbit (LEO) including deep space habitation in the lunar vicinity to support asteroid retrieval missions, human and robotic lunar surface missions, deep space research facilities, Mars vehicle servicing, and Mars transit missions. Additional considerations included international interest and near term capabilities through the International Space Station (ISS) and Space Launch System (SLS) programs. A variety of habitat layouts have been considered, including those derived from the existing ISS systems, those that could be fabricated from SLS components, and other approaches. This paper presents an overview of several leading designs explored in late fiscal year (FY) 2015 for asteroid, lunar, and Mars mission habitats and identifies some of the known advantages and disadvantages inherent in each. Key findings indicate that module diameters larger than those used for ISS can offer lighter structures per unit volume, and sufficient volume to accommodate consumables for long-duration missions in deep space. The information provided with the findings includes mass and volume data that should be helpful to future exploration mission planning and deep space habitat design efforts.

Assessment of types of synthetic cannabinoids in narcotic cases assessed by the Council of Forensic Medicine between 2011-2015, Ankara, Turkey.

PubMed

Göl, Ersin; Çok, İsmet

2017-11-01

Synthetic cannabinoids mimic the effects of cannabis and are the largest and fastest growing class of newly appearing designer drugs. Reports have revealed that various types of synthetic cannabinoids are mixed with herbal substances. The present study investigated the herbal substance cases involving synthetic cannabinoids in Ankara and nearby cities in Turkey. Data were collected from the reports of synthetic cannabinoids that were analyzed between January 01, 2011 and December 31, 2015 in the Ankara Narcotic Department of the Council of Forensic Medicine at the request of the judicial authorities. In all, 4610 narcotic reports were obtained and reviewed. Among these narcotic reports during the period, 370 reports (8%) were related to synthetic cannabinoids. 28 synthetic cannabinoid compounds could be identified in herbals: 5-F-AB-PINACA, 5-F-AKB-48, 5-F-NNEI, 5-F-PB-22, AB-CHMINACA, AB-FUBINACA, AB-PINACA, ADB-CHMINACA, ADB-FUBINACA, AKB-48, AM-2201, EAM-2201, JWH-018, JWH-022, JWH-031, JWH-122, JWH-201, JWH-210, JWH-250, JWH-251, JWH-307, MAM-2201, NM-2201, PB-22, RCS-4, THJ-2201, UR-144, XLR-11. The amount of herbals was 30.72g, 329.22g, 665.89g, 4844.7g, and 5684.3g in 2011, 2012, 2013, 2014, and 2015, respectively. Generally, herbals contained more than one synthetic cannabinoids. ADB-FUBINACA was the most common synthetic cannabinoid among the herbals determined in this study, which was 3132.43g, excepting multi-synthetic cannabinoid herbals. The amount and diversity of synthetic cannabinoid compounds have increased dramatically between 2011 and 2015. Copyright © 2017 Elsevier B.V. All rights reserved.

Scaling single-wavelength optical interconnects to 180 Gb/s with PAM-M and pulse shaping

NASA Astrophysics Data System (ADS)

Dris, Stefanos; Bakopoulos, Paraskevas; Argyris, Nikolaos; Spatharakis, Christos; Avramopoulos, Hercules

2016-03-01

Faced with surging datacenter traffic demand, system designers are turning to multi-level optical modulation with direct detection as the means of reaching 100 Gb/s in a single optical lane; a further upgrade to 400 Gb/s is envisaged through wavelength-multiplexing of multiple 100 Gb/s strands. In terms of modulation formats, PAM-4 and PAM-8 are considered the front-runners, striking a good balance between bandwidth-efficiency and implementation complexity. In addition, the emergence of energy-efficient, high-speed CMOS digital-to-analog converters (DACs) opens up new possibilities: Spectral shaping through digital filtering will allow squeezing even more data through low-cost, low-bandwidth electro-optic components. In this work we demonstrate an optical interconnect based on an EAM that is driven directly with sub-volt electrical swing by a 65 GSa/s arbitrary waveform generator (AWG). Low-voltage drive is particularly attractive since it allows direct interfacing with the switch/server ASIC, eliminating the need for dedicated, power-hungry and expensive electrical drivers. Single-wavelength throughputs of 180 and 120 Gb/s are experimentally demonstrated with 60 Gbaud optical PAM-8 and PAM-4 respectively. Successful transmission over 1250 m SMF is achieved with direct-detection, using linear equalization via offline digital signal processing in order to overcome the strong bandwidth limitation of the overall link (~20 GHz). The suitability of Nyquist pulse shaping for optical interconnects is also investigated experimentally with PAM-4 and PAM-8, at a lower symbol rate of 40 Gbaud (limited by the sampling rate of the AWG). To the best of our knowledge, the rates achieved are the highest ever using optical PAM-M formats.

Carbon diffusion paths and segregation at high-angle tilt grain boundaries in α-Fe studied by using a kinetic activation-relation technique

NASA Astrophysics Data System (ADS)

Restrepo, Oscar A.; Mousseau, Normand; Trochet, Mickaël; El-Mellouhi, Fedwa; Bouhali, Othmane; Becquart, Charlotte S.

2018-02-01

Carbon diffusion and segregation in iron is fundamental to steel production but is also associated with corrosion. Using the kinetic activation-relaxation technique (k-ART), a kinetic Monte Carlo (KMC) algorithm with an on-the-fly catalog that allows to obtain diffusion properties over large time scales taking into account long-range elastic effects coupled with an EAM force field, we study the motion of a carbon impurity in four Fe systems with high-angle grain boundaries (GB), focusing on the impact of these extended defects on the long-time diffusion of C. Short and long-time stability of the various GBs is first analyzed, which allows us to conclude that the Σ 3 (1 1 1 ) θ =109 .53∘<110 > GB is unstable, with Fe migration barriers of ˜0.1 eV or less, and C acts as a pinning center. Focusing on three stable GBs, in all cases, these extended defects trap C in energy states lower than found in the crystal. Yet, contrary to general understanding, we show, through simulations extending to 0.1 s, that even tough C diffusion takes place predominantly in the GB, it is not necessarily faster than in the bulk and can even be slower by one to two orders of magnitude depending on the GB type. Analysis of the energy landscape provided by k-ART also shows that the free cavity volume around the impurity is not a strong predictor of diffusion barrier height. Overall, results show rather complex diffusion kinetics intimately dependent on the local environment.

Conformational Fluctuations in G-Protein-Coupled Receptors

NASA Astrophysics Data System (ADS)

Brown, Michael F.

2014-03-01

G-protein-coupled receptors (GPCRs) comprise almost 50% of pharmaceutical drug targets, where rhodopsin is an important prototype and occurs naturally in a lipid membrane. Rhodopsin photoactivation entails 11-cis to all-trans isomerization of the retinal cofactor, yielding an equilibrium between inactive Meta-I and active Meta-II states. Two important questions are: (1) Is rhodopsin is a simple two-state switch? Or (2) does isomerization of retinal unlock an activated conformational ensemble? For an ensemble-based activation mechanism (EAM) a role for conformational fluctuations is clearly indicated. Solid-state NMR data together with theoretical molecular dynamics (MD) simulations detect increased local mobility of retinal after light activation. Resultant changes in local dynamics of the cofactor initiate large-scale fluctuations of transmembrane helices that expose recognition sites for the signal-transducing G-protein. Time-resolved FTIR studies and electronic spectroscopy further show the conformational ensemble is strongly biased by the membrane lipid composition, as well as pH and osmotic pressure. A new flexible surface model (FSM) describes how the curvature stress field of the membrane governs the energetics of active rhodopsin, due to the spontaneous monolayer curvature of the lipids. Furthermore, influences of osmotic pressure dictate that a large number of bulk water molecules are implicated in rhodopsin activation. Around 60 bulk water molecules activate rhodopsin, which is much larger than the number of structural waters seen in X-ray crystallography, or inferred from studies of bulk hydrostatic pressure. Conformational selection and promoting vibrational motions of rhodopsin lead to activation of the G-protein (transducin). Our biophysical data give a paradigm shift in understanding GPCR activation. The new view is: dynamics and conformational fluctuations involve an ensemble of substates that activate the cognate G-protein in the amplified visual response.

The effect of zinc diffusion on extinction ratio of MQW electroabsorption modulator integrated with DFB laser

NASA Astrophysics Data System (ADS)

Zhou, Daibing; Zhang, Ruikang; Wang, Huitao; Wang, Baojun; Bian, Jing; An, Xin; Zhao, Lingjuan; Zhu, Hongliang; Ji, Chen; Wang, Wei

2014-11-01

Monolithically integrated electroabsorption modulated lasers (EML) are widely being used in the optical fiber communication systems, due to their low chip, compact size and good compatible with the current communication systems. In this paper, we investigated the effect of Zinc diffusion on extinction ratio of electroabsorption modulator (EAM) integrated with distributed feedback laser (DFB). EML was fabricated by selective area growth (SAG) technology. The MQW structure of different quantum energy levels was grown on n-type InP buffer layer with 150nm thick SiO2 parallel stripes mask by selective area metal-organic chemical vapor deposition (MOCVD). A 35nm photoluminescence wavelength variation was observed between the laser area (λPL=1535nm) and modulator area (λPL=1500nm) by adjusting the dimension of parallel stripes. The grating (λ=1550nm) was fabricated in the selective area. The device was mesa ridge structure, which was constituted of the DFB laser, isolation gap and modulator. The length of every part is 300μm, 50μm, and 150μm respectively. Two samples were fabricated with the same structure and different p-type Zn-doped concentration, the extinction ratio of heavy Zn-doped device is 12.5dB at -6V. In contrast, the extinction ratio of light Zn-doped device is 20dB at -6V, that was improved for approximate 60%. The different Zn diffusion depth into the MQW absorption layer was observed by Secondary ion mass spectrometer (SIMS). The heavy Zn-doped device diffused into absorption layer deeper than the light Zn-doped device, which caused the large non-uniformity of the electric field in the MQW layer. So the extinction ratio characteristics can be improved by optimizing the Zn-doped concentration of p-type layer.

Assessment of contamination and health risk of heavy metals in selected water bodies around gold mining areas in Ghana.

PubMed

Hadzi, George Yaw; Essumang, David Kofi; Ayoko, Godwin A

2018-06-16

Heavy metal contamination of selected rivers in Ghana was studied as part of a bigger project aimed at setting background standard for heavy metals in the Ghanaian environment. Water samples were collected from major mining and eight pristine areas. The samples were acid digested with aqua-regia and analyzed with ICP-MS for As, Cd, Hg, Zn, Cu, Mn, Fe, Cr, Al, V, Co, Ni, and Pb. The average concentrations (mg/L) from the pristine sites ranged from 0.002 ± 0.00(As) to 0.929 ± 0.06 (Fe) and 0.002 ± 0.00 (Pb) to 20.355 ± 5.60 (Fe) from the mining sites. With the exception of Al, Fe, and Mn, the metals level were found to be within the WHO and USEPA guideline limits. Hazard quotients (HQ) for ingestion and dermal contact for pristine and mining samples ranged from 3.00E-04 (Cu) to 0.84 (Cr) and 2.40E-06 (Cu) to 7.44 (As), respectively. The carcinogenic risk (CR) for ingestion and dermal contact ranged from 5.03E-06 to 1.71E-07 (Cr) and 4.22E-08 to 1.44E-09 (Cr), respectively. Arsenic showed a CR value higher than the acceptable limit (1.8E-02) from the mining sites which poses carcinogenic health threat. Multicriteria ranking suggests Birim river (EAM) as the most contaminated. The pattern recognition and multicriteria approach in characterizing the heavy metal contamination (for the first time in the case of Ghana) from the various sites will provide fresh insights into the risk assessment of heavy metals in contaminated surface waters.

The construction of partner potential from the general potential Rosen-Morse and Manning Rosen in 4 dimensional Schrodinger system

NASA Astrophysics Data System (ADS)

Nathalia Wea, Kristiana; Suparmi, A.; Cari, C.; Wahyulianti

2017-11-01

The solution of the Schrodinger equation with physical potential is the important part in quantum physics. Many methods have been developed to resolve the Schrodinger equation. The Nikiforov-Uvarov method and supersymmetric method are the most methods that interesting to be explored. The supersymmetric method not only used to solve the Schrodinger equation but also used to construct the partner potential from a general potential. In this study, the Nikiforov-Uvarov method was used to solve the Schrodinger equation while the supersymmetric method was used to construction partner potential. The study about the construction of the partner potential from general potential Rosen-Morse and Manning Rosen in D-dimensional Schrodinger system has been done. The partner potential was obtained are solvable. By using the Nikiforov-Uvarov method the eigenfunction of the Schrodinger equation in D-dimensional system with general potential Rosen-Morse and Manning Rosen and the Schrodinger equation in D-dimensional system with partner potential Rosen-Morse and Manning Rosen are determined. The eigenfunctions are different between the Schrodinger equation with general potential and the Schrodinger potential with the partner potential.

Local discretization method for overdamped Brownian motion on a potential with multiple deep wells.

PubMed

Nguyen, P T T; Challis, K J; Jack, M W

2016-11-01

We present a general method for transforming the continuous diffusion equation describing overdamped Brownian motion on a time-independent potential with multiple deep wells to a discrete master equation. The method is based on an expansion in localized basis states of local metastable potentials that match the full potential in the region of each potential well. Unlike previous basis methods for discretizing Brownian motion on a potential, this approach is valid for periodic potentials with varying multiple deep wells per period and can also be applied to nonperiodic systems. We apply the method to a range of potentials and find that potential wells that are deep compared to five times the thermal energy can be associated with a discrete localized state while shallower wells are better incorporated into the local metastable potentials of neighboring deep potential wells.

Local discretization method for overdamped Brownian motion on a potential with multiple deep wells

NASA Astrophysics Data System (ADS)

Nguyen, P. T. T.; Challis, K. J.; Jack, M. W.

2016-11-01

We present a general method for transforming the continuous diffusion equation describing overdamped Brownian motion on a time-independent potential with multiple deep wells to a discrete master equation. The method is based on an expansion in localized basis states of local metastable potentials that match the full potential in the region of each potential well. Unlike previous basis methods for discretizing Brownian motion on a potential, this approach is valid for periodic potentials with varying multiple deep wells per period and can also be applied to nonperiodic systems. We apply the method to a range of potentials and find that potential wells that are deep compared to five times the thermal energy can be associated with a discrete localized state while shallower wells are better incorporated into the local metastable potentials of neighboring deep potential wells.

Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules

DOE PAGES

White, Alec F.; Head-Gordon, Martin; McCurdy, C. William

2017-01-30

The computation of Siegert energies by analytic continuation of bound state energies has recently been applied to shape resonances in polyatomic molecules by several authors. Here, we critically evaluate a recently proposed analytic continuation method based on low order (type III) Padé approximants as well as an analytic continuation method based on high order (type II) Padé approximants. We compare three classes of stabilizing potentials: Coulomb potentials, Gaussian potentials, and attenuated Coulomb potentials. These methods are applied to a model potential where the correct answer is known exactly and to the 2Π g shape resonance of N 2 - whichmore » has been studied extensively by other methods. Both the choice of stabilizing potential and method of analytic continuation prove to be important to the accuracy of the results. We then conclude that an attenuated Coulomb potential is the most effective of the three for bound state analytic continuation methods. With the proper potential, such methods show promise for algorithmic determination of the positions and widths of molecular shape resonances.« less

Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules

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

White, Alec F.; Head-Gordon, Martin; McCurdy, C. William

The computation of Siegert energies by analytic continuation of bound state energies has recently been applied to shape resonances in polyatomic molecules by several authors. Here, we critically evaluate a recently proposed analytic continuation method based on low order (type III) Padé approximants as well as an analytic continuation method based on high order (type II) Padé approximants. We compare three classes of stabilizing potentials: Coulomb potentials, Gaussian potentials, and attenuated Coulomb potentials. These methods are applied to a model potential where the correct answer is known exactly and to the 2Π g shape resonance of N 2 - whichmore » has been studied extensively by other methods. Both the choice of stabilizing potential and method of analytic continuation prove to be important to the accuracy of the results. We then conclude that an attenuated Coulomb potential is the most effective of the three for bound state analytic continuation methods. With the proper potential, such methods show promise for algorithmic determination of the positions and widths of molecular shape resonances.« less

Comparison of the dye method with the thermocouple psychrometer for measuring leaf water potentials.

PubMed

Knipling, E B; Kramer, P J

1967-10-01

The dye method for measuring water potential was examined and compared with the thermocouple psychrometer method in order to evaluate its usefulness for measuring leaf water potentials of forest trees and common laboratory plants. Psychrometer measurements are assumed to represent the true leaf water potentials. Because of the contamination of test solutions by cell sap and leaf surface residues, dye method values of most species varied about 1 to 5 bars from psychrometer values over the leaf water potential range of 0 to -30 bars. The dye method is useful for measuring changes and relative values in leaf potential. Because of species differences in the relationships of dye method values to true leaf water potentials, dye method values should be interpreted with caution when comparing different species or the same species growing in widely different environments. Despite its limitations the dye method has a usefulness to many workers because it is simple, requires no elaborate equipment, and can be used in both the laboratory and field.

Electric potential calculation in molecular simulation of electric double layer capacitors

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Olmsted, David L.; Asta, Mark; Laird, Brian B.

2016-11-01

For the molecular simulation of electric double layer capacitors (EDLCs), a number of methods have been proposed and implemented to determine the one-dimensional electric potential profile between the two electrodes at a fixed potential difference. In this work, we compare several of these methods for a model LiClO4-acetonitrile/graphite EDLC simulated using both the traditional fixed-charged method (FCM), in which a fixed charge is assigned a priori to the electrode atoms, or the recently developed constant potential method (CPM) (2007 J. Chem. Phys. 126 084704), where the electrode charges are allowed to fluctuate to keep the potential fixed. Based on an analysis of the full three-dimensional electric potential field, we suggest a method for determining the averaged one-dimensional electric potential profile that can be applied to both the FCM and CPM simulations. Compared to traditional methods based on numerically solving the one-dimensional Poisson’s equation, this method yields better accuracy and no supplemental assumptions.

Comparison of the Dye Method with the Thermocouple Psychrometer for Measuring Leaf Water Potentials 1

PubMed Central

Knipling, Edward B.; Kramer, Paul J.

1967-01-01

The dye method for measuring water potential was examined and compared with the thermocouple psychrometer method in order to evaluate its usefulness for measuring leaf water potentials of forest trees and common laboratory plants. Psychrometer measurements are assumed to represent the true leaf water potentials. Because of the contamination of test solutions by cell sap and leaf surface residues, dye method values of most species varied about 1 to 5 bars from psychrometer values over the leaf water potential range of 0 to −30 bars. The dye method is useful for measuring changes and relative values in leaf potential. Because of species differences in the relationships of dye method values to true leaf water potentials, dye method values should be interpreted with caution when comparing different species or the same species growing in widely different environments. Despite its limitations the dye method has a usefulness to many workers because it is simple, requires no elaborate equipment, and can be used in both the laboratory and field. PMID:16656657

Path Planning for Robot based on Chaotic Artificial Potential Field Method

NASA Astrophysics Data System (ADS)

Zhang, Cheng

2018-03-01

Robot path planning in unknown environments is one of the hot research topics in the field of robot control. Aiming at the shortcomings of traditional artificial potential field methods, we propose a new path planning for Robot based on chaotic artificial potential field method. The path planning adopts the potential function as the objective function and introduces the robot direction of movement as the control variables, which combines the improved artificial potential field method with chaotic optimization algorithm. Simulations have been carried out and the results demonstrate that the superior practicality and high efficiency of the proposed method.

Comparison of potential method in analytic hierarchy process for multi-attribute of catering service companies

NASA Astrophysics Data System (ADS)

Mamat, Siti Salwana; Ahmad, Tahir; Awang, Siti Rahmah

2017-08-01

Analytic Hierarchy Process (AHP) is a method used in structuring, measuring and synthesizing criteria, in particular ranking of multiple criteria in decision making problems. On the other hand, Potential Method is a ranking procedure in which utilizes preference graph ς (V, A). Two nodes are adjacent if they are compared in a pairwise comparison whereby the assigned arc is oriented towards the more preferred node. In this paper Potential Method is used to solve problem on a catering service selection. The comparison of result by using Potential method is made with Extent Analysis. The Potential Method is found to produce the same rank as Extent Analysis in AHP.

Adaptive Monte Carlo methods

NASA Astrophysics Data System (ADS)

Fasnacht, Marc

We develop adaptive Monte Carlo methods for the calculation of the free energy as a function of a parameter of interest. The methods presented are particularly well-suited for systems with complex energy landscapes, where standard sampling techniques have difficulties. The Adaptive Histogram Method uses a biasing potential derived from histograms recorded during the simulation to achieve uniform sampling in the parameter of interest. The Adaptive Integration method directly calculates an estimate of the free energy from the average derivative of the Hamiltonian with respect to the parameter of interest and uses it as a biasing potential. We compare both methods to a state of the art method, and demonstrate that they compare favorably for the calculation of potentials of mean force of dense Lennard-Jones fluids. We use the Adaptive Integration Method to calculate accurate potentials of mean force for different types of simple particles in a Lennard-Jones fluid. Our approach allows us to separate the contributions of the solvent to the potential of mean force from the effect of the direct interaction between the particles. With contributions of the solvent determined, we can find the potential of mean force directly for any other direct interaction without additional simulations. We also test the accuracy of the Adaptive Integration Method on a thermodynamic cycle, which allows us to perform a consistency check between potentials of mean force and chemical potentials calculated using the Adaptive Integration Method. The results demonstrate a high degree of consistency of the method.

A Comparison of Streaming and Microelectrophoresis Methods for Obtaining the zeta Potential of Granular Porous Media Surfaces.

PubMed

Johnson

1999-01-01

The electrokinetic behavior of granular quartz sand in aqueous solution is investigated by both microelectrophoresis and streaming potential methods. zeta potentials of surfaces composed of granular quartz obtained via streaming potential methods are compared to electrophoretic mobility zeta potential values of colloid-sized quartz fragments. The zeta values generated by these alternate methods are in close agreement over a wide pH range and electrolyte concentrations spanning several orders of magnitude. Streaming measurements performed on chemically heterogeneous mixtures of physically homogeneous sand are shown to obey a simple mixing model based on the surface area-weighted average of the streaming potentials associated with the individual end members. These experimental results support the applicability of the streaming potential method as a means of determining the zeta potential of granular porous media surfaces. Copyright 1999 Academic Press.

Gender Differences in Axial Spondyloarthritis: Women Are Not So Lucky.

PubMed

Rusman, T; van Vollenhoven, R F; van der Horst-Bruinsma, I E

2018-05-12

Ankylosing spondylitis (AS) was historically seen as a predominantly male disease. However, more recent data showed a more homogenous sex prevalence. Unfortunately, in many studies in axial spondyloarthritis (axSpA), the number of women included is low and the analyses are often not stratified for gender distribution. The purpose of this review is to aggregate the existing data on gender differences in axSpA in order to increase the awareness that female axSpA patients are still under-recognized. Several studies considering gender differences revealed that female axSpA patients had different disease manifestations due to different immunological, hormonal, and genetic responses. For instance, allelic frequencies of the AHNK-gene and tissue non-specific alkaline phosphatase (TNAP) haplotypes differed between men and women with ankylosing spondylitis (AS). In addition, different levels of tumor necrosis factor (TNF), interleukins IL-6, IL-17, and IL-18, were found between the two sexes. Furthermore, female patients show a higher diagnostic delay compared to males. Several studies indicate a higher frequency of extra-articular manifestations (EAM) in female axSpA patients, such as enthesitis, psoriasis, and inflammatory bowel disease (IBD), whereas acute anterior uveitis is more prevalent in male patients. Male AS patients more frequently show a higher Bath Ankylosing Spondylitis Radiology Index (BASRI) scores and modified Stoke Ankylosing Spondylitis Spine Scores (mSASSS) than females, which indicates that males have higher radiological damage and radiographic progression. However, disease activity (BASDAI) and quality of life (AsQol) scores are significantly higher in women, and more importantly, they have significantly lower response rates to treatment with TNF inhibitors (TNFi) and a significantly lower drug adherence. Despite the fact that men with axial SpA have a worse radiologic prognosis, women have a high disease burden, in part because they have a longer delay in diagnosis, higher disease activity, and significantly less responsiveness to treatment with TNFi.

LEAKAGE CHARACTERISTICS OF BASE OF RIVERBANK BY SELF POTENTIAL METHOD AND EXAMINATION OF EFFECTIVENESS OF SELF POTENTIAL METHOD TO HEALTH MONITORING OF BASE OF RIVERBANK

NASA Astrophysics Data System (ADS)

Matsumoto, Kensaku; Okada, Takashi; Takeuchi, Atsuo; Yazawa, Masato; Uchibori, Sumio; Shimizu, Yoshihiko

Field Measurement of Self Potential Method using Copper Sulfate Electrode was performed in base of riverbank in WATARASE River, where has leakage problem to examine leakage characteristics. Measurement results showed typical S-shape what indicates existence of flow groundwater. The results agreed with measurement results by Ministry of Land, Infrastructure and Transport with good accuracy. Results of 1m depth ground temperature detection and Chain-Array detection showed good agreement with results of the Self Potential Method. Correlation between Self Potential value and groundwater velocity was examined model experiment. The result showed apparent correlation. These results indicate that the Self Potential Method was effective method to examine the characteristics of ground water of base of riverbank in leakage problem.

A combined vector potential-scalar potential method for FE computation of 3D magnetic fields in electrical devices with iron cores

NASA Technical Reports Server (NTRS)

Wang, R.; Demerdash, N. A.

1991-01-01

A method of combined use of magnetic vector potential based finite-element (FE) formulations and magnetic scalar potential (MSP) based formulations for computation of three-dimensional magnetostatic fields is introduced. In this method, the curl-component of the magnetic field intensity is computed by a reduced magnetic vector potential. This field intensity forms the basic of a forcing function for a global magnetic scalar potential solution over the entire volume of the region. This method allows one to include iron portions sandwiched in between conductors within partitioned current-carrying subregions. The method is most suited for large-scale global-type 3-D magnetostatic field computations in electrical devices, and in particular rotating electric machinery.

Vector potential methods

NASA Technical Reports Server (NTRS)

Hafez, M.

1989-01-01

Vector potential and related methods, for the simulation of both inviscid and viscous flows over aerodynamic configurations, are briefly reviewed. The advantages and disadvantages of several formulations are discussed and alternate strategies are recommended. Scalar potential, modified potential, alternate formulations of Euler equations, least-squares formulation, variational principles, iterative techniques and related methods, and viscous flow simulation are discussed.

Quadratic adaptive algorithm for solving cardiac action potential models.

PubMed

Chen, Min-Hung; Chen, Po-Yuan; Luo, Ching-Hsing

2016-10-01

An adaptive integration method is proposed for computing cardiac action potential models accurately and efficiently. Time steps are adaptively chosen by solving a quadratic formula involving the first and second derivatives of the membrane action potential. To improve the numerical accuracy, we devise an extremum-locator (el) function to predict the local extremum when approaching the peak amplitude of the action potential. In addition, the time step restriction (tsr) technique is designed to limit the increase in time steps, and thus prevent the membrane potential from changing abruptly. The performance of the proposed method is tested using the Luo-Rudy phase 1 (LR1), dynamic (LR2), and human O'Hara-Rudy dynamic (ORd) ventricular action potential models, and the Courtemanche atrial model incorporating a Markov sodium channel model. Numerical experiments demonstrate that the action potential generated using the proposed method is more accurate than that using the traditional Hybrid method, especially near the peak region. The traditional Hybrid method may choose large time steps near to the peak region, and sometimes causes the action potential to become distorted. In contrast, the proposed new method chooses very fine time steps in the peak region, but large time steps in the smooth region, and the profiles are smoother and closer to the reference solution. In the test on the stiff Markov ionic channel model, the Hybrid blows up if the allowable time step is set to be greater than 0.1ms. In contrast, our method can adjust the time step size automatically, and is stable. Overall, the proposed method is more accurate than and as efficient as the traditional Hybrid method, especially for the human ORd model. The proposed method shows improvement for action potentials with a non-smooth morphology, and it needs further investigation to determine whether the method is helpful during propagation of the action potential. Copyright © 2016 Elsevier Ltd. All rights reserved.

An entropy correction method for unsteady full potential flows with strong shocks

NASA Technical Reports Server (NTRS)

Whitlow, W., Jr.; Hafez, M. M.; Osher, S. J.

1986-01-01

An entropy correction method for the unsteady full potential equation is presented. The unsteady potential equation is modified to account for entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. A flux-biasing differencing method, which generates the proper amounts of artificial viscosity in supersonic regions, is used to discretize the flow equations in space. Comparisons between the present method and solutions of the Euler equations and between the present method and experimental data are presented. The comparisons show that the present method more accurately models solutions of the Euler equations and experiment than does the isentropic potential formulation.

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

Stiegler, Thomas; Sadus, Richard J., E-mail: rsadus@swin.edu.au

General methods for combining interactions between particles characterised by non-identical intermolecular potentials are investigated. The combination methods are tested by performing molecular dynamics simulations to determine the pressure, energy, isochoric and isobaric heat capacities, thermal expansion coefficient, isothermal compressibility, Joule-Thomson coefficient, and speed of sound of 10-5 + 12-6 Mie potential binary mixtures. In addition to the two non-identical Mie potentials, mixtures are also studied with non-identical intermolecular parameters. The combination methods are compared with results obtained by simply averaging the Mie exponents. When either the energy or size parameters are non-identical, very significant differences emerge in the thermodynamic propertiesmore » predicted by the alternative combination methods. The isobaric heat capacity is the thermodynamic property that is most affected by the relative magnitude of the intermolecular potential parameters and the method for combining non-identical potentials. Either the arithmetic or geometric combination of potentials provides a simple and effective way of performing simulations involving mixtures of components characterised by non-identical intermolecular potentials, which is independent of their functional form.« less

Minimizing Higgs potentials via numerical polynomial homotopy continuation

NASA Astrophysics Data System (ADS)

Maniatis, M.; Mehta, D.

2012-08-01

The study of models with extended Higgs sectors requires to minimize the corresponding Higgs potentials, which is in general very difficult. Here, we apply a recently developed method, called numerical polynomial homotopy continuation (NPHC), which guarantees to find all the stationary points of the Higgs potentials with polynomial-like non-linearity. The detection of all stationary points reveals the structure of the potential with maxima, metastable minima, saddle points besides the global minimum. We apply the NPHC method to the most general Higgs potential having two complex Higgs-boson doublets and up to five real Higgs-boson singlets. Moreover the method is applicable to even more involved potentials. Hence the NPHC method allows to go far beyond the limits of the Gröbner basis approach.

Patching the Exchange-Correlation Potential in Density Functional Theory.

PubMed

Huang, Chen

2016-05-10

A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

The construction of partner potential from the general potential anharmonic in D-dimensional Schrodinger system

NASA Astrophysics Data System (ADS)

Suparmi; Cari, C.; Wea, K. N.; Wahyulianti

2018-03-01

The Schrodinger equation is the fundamental equation in quantum physics. The characteristic of the particle in physics potential field can be explained by using the Schrodinger equation. In this study, the solution of 4 dimensional Schrodinger equation for the anharmonic potential and the anharmonic partner potential have done. The method that used to solve the Schrodinger equation was the ansatz wave method, while to construction the partner potential was the supersymmetric method. The construction of partner potential used to explain the experiment result that cannot be explained by the original potential. The eigenvalue for anharmonic potential and the anharmonic partner potential have the same characteristic. Every increase of quantum orbital number the eigenvalue getting smaller. This result corresponds to Bohrn’s atomic theory that the eigenvalue is inversely proportional to the atomic shell. But the eigenvalue for the anharmonic partner potential higher than the eigenvalue for the anharmonic original potential.

Resonances for Symmetric Two-Barrier Potentials

ERIC Educational Resources Information Center

Fernandez, Francisco M.

2011-01-01

We describe a method for the accurate calculation of bound-state and resonance energies for one-dimensional potentials. We calculate the shape resonances for symmetric two-barrier potentials and compare them with those coming from the Siegert approximation, the complex scaling method and the box-stabilization method. A comparison of the…

Nucleon-nucleon interactions via Lattice QCD: Methodology. HAL QCD approach to extract hadronic interactions in lattice QCD

NASA Astrophysics Data System (ADS)

Aoki, Sinya

2013-07-01

We review the potential method in lattice QCD, which has recently been proposed to extract nucleon-nucleon interactions via numerical simulations. We focus on the methodology of this approach by emphasizing the strategy of the potential method, the theoretical foundation behind it, and special numerical techniques. We compare the potential method with the standard finite volume method in lattice QCD, in order to make pros and cons of the approach clear. We also present several numerical results for nucleon-nucleon potentials.

Inverse scattering theory: Inverse scattering series method for one dimensional non-compact support potential

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

Yao, Jie, E-mail: yjie2@uh.edu; Lesage, Anne-Cécile; Hussain, Fazle

2014-12-15

The reversion of the Born-Neumann series of the Lippmann-Schwinger equation is one of the standard ways to solve the inverse acoustic scattering problem. One limitation of the current inversion methods based on the reversion of the Born-Neumann series is that the velocity potential should have compact support. However, this assumption cannot be satisfied in certain cases, especially in seismic inversion. Based on the idea of distorted wave scattering, we explore an inverse scattering method for velocity potentials without compact support. The strategy is to decompose the actual medium as a known single interface reference medium, which has the same asymptoticmore » form as the actual medium and a perturbative scattering potential with compact support. After introducing the method to calculate the Green’s function for the known reference potential, the inverse scattering series and Volterra inverse scattering series are derived for the perturbative potential. Analytical and numerical examples demonstrate the feasibility and effectiveness of this method. Besides, to ensure stability of the numerical computation, the Lanczos averaging method is employed as a filter to reduce the Gibbs oscillations for the truncated discrete inverse Fourier transform of each order. Our method provides a rigorous mathematical framework for inverse acoustic scattering with a non-compact support velocity potential.« less

Method of Analysis by the U.S. Geological Survey California District Sacramento Laboratory?Determination of Trihalomethane Formation Potential, Method Validation, and Quality-Control Practices

USGS Publications Warehouse

Crepeau, Kathryn L.; Fram, Miranda S.; Bush, Noel

2004-01-01

An analytical method for the determination of the trihalomethane formation potential of water samples has been developed. The trihalomethane formation potential is measured by dosing samples with chlorine under specified conditions of pH, temperature, incubation time, darkness, and residual-free chlorine, and then analyzing the resulting trihalomethanes by purge and trap/gas chromatography equipped with an electron capture detector. Detailed explanations of the method and quality-control practices are provided. Method validation experiments showed that the trihalomethane formation potential varies as a function of time between sample collection and analysis, residual-free chlorine concentration, method of sample dilution, and the concentration of bromide in the sample.

A novel knowledge-based potential for RNA 3D structure evaluation

NASA Astrophysics Data System (ADS)

Yang, Yi; Gu, Qi; Zhang, Ben-Gong; Shi, Ya-Zhou; Shao, Zhi-Gang

2018-03-01

Ribonucleic acids (RNAs) play a vital role in biology, and knowledge of their three-dimensional (3D) structure is required to understand their biological functions. Recently structural prediction methods have been developed to address this issue, but a series of RNA 3D structures are generally predicted by most existing methods. Therefore, the evaluation of the predicted structures is generally indispensable. Although several methods have been proposed to assess RNA 3D structures, the existing methods are not precise enough. In this work, a new all-atom knowledge-based potential is developed for more accurately evaluating RNA 3D structures. The potential not only includes local and nonlocal interactions but also fully considers the specificity of each RNA by introducing a retraining mechanism. Based on extensive test sets generated from independent methods, the proposed potential correctly distinguished the native state and ranked near-native conformations to effectively select the best. Furthermore, the proposed potential precisely captured RNA structural features such as base-stacking and base-pairing. Comparisons with existing potential methods show that the proposed potential is very reliable and accurate in RNA 3D structure evaluation. Project supported by the National Science Foundation of China (Grants Nos. 11605125, 11105054, 11274124, and 11401448).

Action potentials recorded from bundles of very thin, gray matter axons in rat cerebellar slices using a grease-gap method.

PubMed

Palani, Damodharan; Pekala, Dobromila; Baginskas, Armantas; Szkudlarek, Hanna; Raastad, Morten

2012-07-15

We investigated the ability of a grease-gap method to record fast and slow changes of the membrane potential from bundles of gray matter axons. Their membrane potentials are of particular interest because these axons are different from most axons that have been investigated using intra-axonal or gap techniques. One of the main differences is that gray matter axons typically have closely spaced presynaptic specializations, called boutons or varicosities, distributed along their entire paths. In response to electrical activation of bundles of parallel fiber axons we were able to record small (128-416μV) but stable signals that we show most likely represented a fraction of the trans-membrane action potentials. A less-than 100% fraction prevents measurements of absolute values for membrane potentials, but the good signal-to-noise ratio (typically 10-16) allows detection of changes in resting membrane potential, action potentials and their after-potentials. Because very little is known about the shape of action potentials and after-potentials in these axons we used several independent methods to make it likely that the grease-gap signal was of intra-axonal origin. We demonstrate the utility of the method by showing that the action potentials in cerebellar parallel fibers and hippocampal Schaffer collaterals had a slowly decaying, depolarized after-potential. The method is ideal for pharmacological tests, which we demonstrate by showing that the slow after-potential was sensitive to 4-AP, and that the membrane potential was reduced by 200μM Ba(2+). Copyright © 2012 Elsevier B.V. All rights reserved.

A joint sparse representation-based method for double-trial evoked potentials estimation.

PubMed

Yu, Nannan; Liu, Haikuan; Wang, Xiaoyan; Lu, Hanbing

2013-12-01

In this paper, we present a novel approach to solving an evoked potentials estimating problem. Generally, the evoked potentials in two consecutive trials obtained by repeated identical stimuli of the nerves are extremely similar. In order to trace evoked potentials, we propose a joint sparse representation-based double-trial evoked potentials estimation method, taking full advantage of this similarity. The estimation process is performed in three stages: first, according to the similarity of evoked potentials and the randomness of a spontaneous electroencephalogram, the two consecutive observations of evoked potentials are considered as superpositions of the common component and the unique components; second, making use of their characteristics, the two sparse dictionaries are constructed; and finally, we apply the joint sparse representation method in order to extract the common component of double-trial observations, instead of the evoked potential in each trial. A series of experiments carried out on simulated and human test responses confirmed the superior performance of our method. © 2013 Elsevier Ltd. Published by Elsevier Ltd. All rights reserved.

Advances in visual representation of molecular potentials.

PubMed

Du, Qi-Shi; Huang, Ri-Bo; Chou, Kuo-Chen

2010-06-01

The recent advances in visual representations of molecular properties in 3D space are summarized, and their applications in molecular modeling study and rational drug design are introduced. The visual representation methods provide us with detailed insights into protein-ligand interactions, and hence can play a major role in elucidating the structure or reactivity of a biomolecular system. Three newly developed computation and visualization methods for studying the physical and chemical properties of molecules are introduced, including their electrostatic potential, lipophilicity potential and excess chemical potential. The newest application examples of visual representations in structure-based rational drug are presented. The 3D electrostatic potentials, calculated using the empirical method (EM-ESP), in which the classical Coulomb equation and traditional atomic partial changes are discarded, are highly consistent with the results by the higher level quantum chemical method. The 3D lipophilicity potentials, computed by the heuristic molecular lipophilicity potential method based on the principles of quantum mechanics and statistical mechanics, are more accurate and reliable than those by using the traditional empirical methods. The 3D excess chemical potentials, derived by the reference interaction site model-hypernetted chain theory, provide a new tool for computational chemistry and molecular modeling. For structure-based drug design, the visual representations of molecular properties will play a significant role in practical applications. It is anticipated that the new advances in computational chemistry will stimulate the development of molecular modeling methods, further enriching the visual representation techniques for rational drug design, as well as other relevant fields in life science.

Baryon interactions in lattice QCD: the direct method vs. the HAL QCD potential method

NASA Astrophysics Data System (ADS)

Iritani, T.; HAL QCD Collaboration

We make a detailed comparison between the direct method and the HAL QCD potential method for the baryon-baryon interactions, taking the $\\Xi\\Xi$ system at $m_\\pi= 0.51$ GeV in 2+1 flavor QCD and using both smeared and wall quark sources. The energy shift $\\Delta E_\\mathrm{eff}(t)$ in the direct method shows the strong dependence on the choice of quark source operators, which means that the results with either (or both) source are false. The time-dependent HAL QCD method, on the other hand, gives the quark source independent $\\Xi\\Xi$ potential, thanks to the derivative expansion of the potential, which absorbs the source dependence to the next leading order correction. The HAL QCD potential predicts the absence of the bound state in the $\\Xi\\Xi$($^1$S$_0$) channel at $m_\\pi= 0.51$ GeV, which is also confirmed by the volume dependence of finite volume energy from the potential. We also demonstrate that the origin of the fake plateau in the effective energy shift $\\Delta E_\\mathrm{eff}(t)$ at $t \\sim 1$ fm can be clarified by a few low-lying eigenfunctions and eigenvalues on the finite volume derived from the HAL QCD potential, which implies that the ground state saturation of $\\Xi\\Xi$($^1$S$_0$) requires $t \\sim 10$ fm in the direct method for the smeared source on $(4.3 \\ \\mathrm{fm})^3$ lattice, while the HAL QCD method does not suffer from such a problem.

Computing wave functions in multichannel collisions with non-local potentials using the R-matrix method

NASA Astrophysics Data System (ADS)

Bonitati, Joey; Slimmer, Ben; Li, Weichuan; Potel, Gregory; Nunes, Filomena

2017-09-01

The calculable form of the R-matrix method has been previously shown to be a useful tool in approximately solving the Schrodinger equation in nuclear scattering problems. We use this technique combined with the Gauss quadrature for the Lagrange-mesh method to efficiently solve for the wave functions of projectile nuclei in low energy collisions (1-100 MeV) involving an arbitrary number of channels. We include the local Woods-Saxon potential, the non-local potential of Perey and Buck, a Coulomb potential, and a coupling potential to computationally solve for the wave function of two nuclei at short distances. Object oriented programming is used to increase modularity, and parallel programming techniques are introduced to reduce computation time. We conclude that the R-matrix method is an effective method to predict the wave functions of nuclei in scattering problems involving both multiple channels and non-local potentials. Michigan State University iCER ACRES REU.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory

NASA Astrophysics Data System (ADS)

Jia, Weile; Lin, Lin

2017-10-01

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory.

PubMed

Jia, Weile; Lin, Lin

2017-10-14

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Electrical Methods: Self-Potential (SP) Method

EPA Pesticide Factsheets

Various potentials are produced in native ground or within the subsurface altered by our actions. Natural potentials occur about dissimilar materials, near varying concentrations of electrolytic solutions, and due to the flow of fluids.

Eigenenergies of a Relativistic Particle in an Infinite Range Linear Potential Using WKB Method

ERIC Educational Resources Information Center

Shivalingaswamy, T.; Kagali, B. A.

2011-01-01

Energy eigenvalues for a non-relativistic particle in a linear potential well are available. In this paper we obtain the eigenenergies for a relativistic spin less particle in a similar potential using an extension of the well-known WKB method treating the potential as the time component of a four-vector potential. Since genuine bound states do…

A Laboratory Experiment to Measure the Built-In Potential of a P-N Junction by a Photosaturation Method

ERIC Educational Resources Information Center

Ikram, I. Mohamed; Rabinal, M. K.; Mulimani, B. G.

2009-01-01

Here, we propose a simple method for measuring the built-in potential and its temperature dependence of a photodiode by a photosaturation technique. The experimental design facilitates both current-voltage and null voltage measurements as a function of white light intensity. This method gives the built-in potential directly; as a result its…

Improving Cardiac Action Potential Measurements: 2D and 3D Cell Culture.

PubMed

Daily, Neil J; Yin, Yue; Kemanli, Pinar; Ip, Brian; Wakatsuki, Tetsuro

2015-11-01

Progress in the development of assays for measuring cardiac action potential is crucial for the discovery of drugs for treating cardiac disease and assessing cardiotoxicity. Recently, high-throughput methods for assessing action potential using induced pluripotent stem cell (iPSC) derived cardiomyocytes in both two-dimensional monolayer cultures and three-dimensional tissues have been developed. We describe an improved method for assessing cardiac action potential using an ultra-fast cost-effective plate reader with commercially available dyes. Our methods improve dramatically the detection of the fluorescence signal from these dyes and make way for the development of more high-throughput methods for cardiac drug discovery and cardiotoxicity.

Rapid and Automated Analytical Methods for Redox Species Based on Potentiometric Flow Injection Analysis Using Potential Buffers

PubMed Central

Ohura, Hiroki; Imato, Toshihiko

2011-01-01

Two analytical methods, which prove the utility of a potentiometric flow injection technique for determining various redox species, based on the use of some redox potential buffers, are reviewed. The first is a potentiometric flow injection method in which a redox couple such as Fe(III)-Fe(II), Fe(CN)6 3−-Fe(CN)(CN)6 4−, and bromide-bromine and a redox electrode or a combined platinum-bromide ion selective electrode are used. The analytical principle and advantages of the method are discussed, and several examples of its application are reported. Another example is a highly sensitive potentiometric flow injection method, in which a large transient potential change due to bromine or chlorine as an intermediate, generated during the reaction of the oxidative species with an Fe(III)-Fe(II) potential buffer containing bromide or chloride, is utilized. The analytical principle and details of the proposed method are described, and examples of several applications are described. The determination of trace amounts of hydrazine, based on the detection of a transient change in potential caused by the reaction with a Ce(IV)-Ce(III) potential buffer, is also described. PMID:21584280

Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications.

PubMed

Hirshberg, Barak; Sagiv, Lior; Gerber, R Benny

2017-03-14

Algorithms for quantum molecular dynamics simulations that directly use ab initio methods have many potential applications. In this article, the ab initio classical separable potentials (AICSP) method is proposed as the basis for approximate algorithms of this type. The AICSP method assumes separability of the total time-dependent wave function of the nuclei and employs mean-field potentials that govern the dynamics of each degree of freedom. In the proposed approach, the mean-field potentials are determined by classical ab initio molecular dynamics simulations. The nuclear wave function can thus be propagated in time using the effective potentials generated "on the fly". As a test of the method for realistic systems, calculations of the stationary anharmonic frequencies of hydrogen stretching modes were carried out for several polyatomic systems, including three amino acids and the guanine-cytosine pair of nucleobases. Good agreement with experiments was found. The method scales very favorably with the number of vibrational modes and should be applicable for very large molecules, e.g., peptides. The method should also be applicable for properties such as vibrational line widths and line shapes. Work in these directions is underway.

Comparison of different static methods for assessment of AMD generation potential in mining waste dumps in the Muteh Gold Mines, Iran.

PubMed

Mohammadi, Zohreh; Modabberi, Soroush; Jafari, Mohammad Reza; Ajayebi, Kimia Sadat

2015-06-01

Acid mine drainage (AMD) gives rise to several problems in sulfide-bearing mineral deposits whether in an ore body or in the mining wastes and tailings. Hence, several methods and parameters have been proposed to evaluate the acid-producing and acid-neutralizing potential of a material. This research compares common static methods for evaluation of acid-production potential of mining wastes in the Muteh gold mines by using 62 samples taken from six waste dumps around Senjedeh and Chah-Khatoun mines. According to a detailed mineralogical study, the waste materials are composed of mica-schist and quartz veins with a high amount of pyrite and are supposed to be susceptible to acid production, and upon a rainfall, they release acid drainage. All parameters introduced in different methods were calculated and compared in this research in order to predict the acid-generating and neutralization potential, including APP, NNP, MPA, NPR, and NAGpH. Based on the analytical results and calculation of different parameters, all methods are in a general consensus that DWS-02 and DWS-03 waste dumps are acid-forming which is clearly attributed to high content of pyrite in samples. DWS-04 is considered as non-acid forming in all methods except method 8 which is uncertain about its acid-forming potential and method 7 which considers a low potential for it. DWC-01 is acid-forming based on all methods except 8, 9, 10, and 11 which are also uncertain about its potential. The methods used are not reached to a compromise on DWS-01 and DWC-02 waste dumps. It is supposed that method 7 gives the conservationist results in all cases. Method 8 is unable to decide on some cases. It is recommended to use and rely on results provided by methods 1, 2, 3, and 12 for taking decisions for further studies. Therefore, according to the static tests used, the aforementioned criteria in selected methods can be used with much confidence as a rule of thumb estimation.

Single-scale renormalisation group improvement of multi-scale effective potentials

NASA Astrophysics Data System (ADS)

Chataignier, Leonardo; Prokopec, Tomislav; Schmidt, Michael G.; Świeżewska, Bogumiła

2018-03-01

We present a new method for renormalisation group improvement of the effective potential of a quantum field theory with an arbitrary number of scalar fields. The method amounts to solving the renormalisation group equation for the effective potential with the boundary conditions chosen on the hypersurface where quantum corrections vanish. This hypersurface is defined through a suitable choice of a field-dependent value for the renormalisation scale. The method can be applied to any order in perturbation theory and it is a generalisation of the standard procedure valid for the one-field case. In our method, however, the choice of the renormalisation scale does not eliminate individual logarithmic terms but rather the entire loop corrections to the effective potential. It allows us to evaluate the improved effective potential for arbitrary values of the scalar fields using the tree-level potential with running coupling constants as long as they remain perturbative. This opens the possibility of studying various applications which require an analysis of multi-field effective potentials across different energy scales. In particular, the issue of stability of the scalar potential can be easily studied beyond tree level.

Recursion-transform method and potential formulae of the m × n cobweb and fan networks

NASA Astrophysics Data System (ADS)

Tan, Zhi-Zhong

2017-08-01

In this paper, we made a new breakthrough, which proposes a new Recursion-Transform (RT) method with potential parameters to evaluate the nodal potential in arbitrary resistor networks. For the first time, we found the exact potential formulae of arbitrary m× n cobweb and fan networks by the RT method, and the potential formulae of infinite and semi-infinite networks are derived. As applications, a series of interesting corollaries of potential formulae are given by using the general formula, the equivalent resistance formula is deduced by using the potential formula, and we find a new trigonometric identity by comparing two equivalence results with different forms. Project supported by the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20161278).

The imagework method in health and social science research.

PubMed

Edgar, I R

1999-03-01

Existing alongside the traditional forms of qualitative social science research, there is a set of potential research methods that derive from experiential groupwork and the humanistic human potential movement and are only slightly used by researchers. Social science research has barely begun to use these powerful strategies that were developed originally for personal and group change but that are potentially applicable to the research domain. This article will locate these methods within the qualitative research domain and propose a novel view of their value. The study of the actual and potential use of one of these methods, imagework, will be the particular focus of this article. References to the use of artwork, sculpting, psychodrama, gestalt, and dreamwork will also be made. The hypothesis underpinning the author's approach is that experiential research methods such as imagework can elicit implicit knowledge and self-identifies of respondents in a way that other methods cannot.

New methods in the Newtonian potential theory. I - The representation of the potential energy of homogeneous gravitating bodies by converging bodies

NASA Astrophysics Data System (ADS)

Kondrat'ev, B. P.

1993-06-01

A method is developed for the representation of the potential energy of homogeneous gravitating, as well as electrically charged, bodies in the form of special series. These series contain members consisting of products of the corresponding coefficients appearing in the expansion of external and internal Newtonian potentials in Legendre polynomial series. Several versions of the representation of potential energy through these series are possible. A formula which expresses potential energy not as a volume integral, as is the convention, but as an integral over the body surface is derived. The method is tested for the particular cases of sphere and ellipsoid, and the convergence of the found series is shown.

A method to assess the potential effects of air pollution mitigation on healthcare costs.

PubMed

Sætterstrøm, Bjørn; Kruse, Marie; Brønnum-Hansen, Henrik; Bønløkke, Jakob Hjort; Flachs, Esben Meulengracht; Sørensen, Jan

2012-01-01

The aim of this study was to develop a method to assess the potential effects of air pollution mitigation on healthcare costs and to apply this method to assess the potential savings related to a reduction in fine particle matter in Denmark. The effects of air pollution on health were used to identify "exposed" individuals (i.e., cases). Coronary heart disease, stroke, chronic obstructive pulmonary disease, and lung cancer were considered to be associated with air pollution. We used propensity score matching, two-part estimation, and Lin's method to estimate healthcare costs. Subsequently, we multiplied the number of saved cases due to mitigation with the healthcare costs to arrive to an expression for healthcare cost savings. The potential cost saving in the healthcare system arising from a modelled reduction in air pollution was estimated at €0.1-2.6 million per 100,000 inhabitants for the four diseases. We have illustrated an application of a method to assess the potential changes in healthcare costs due to a reduction in air pollution. The method relies on a large volume of administrative data and combines a number of established methods for epidemiological analysis.

Reconstructing free-energy landscapes for nonequilibrium periodic potentials

NASA Astrophysics Data System (ADS)

López-Alamilla, N. J.; Jack, Michael W.; Challis, K. J.

2018-03-01

We present a method for reconstructing the free-energy landscape of overdamped Brownian motion on a tilted periodic potential. Our approach exploits the periodicity of the system by using the k -space form of the Smoluchowski equation and we employ an iterative approach to determine the nonequilibrium tilt. We reconstruct landscapes for a number of example potentials to show the applicability of the method to both deep and shallow wells and near-to- and far-from-equilibrium regimes. The method converges logarithmically with the number of Fourier terms in the potential.

On numerical solution of the Schrödinger equation: the shooting method revisited

NASA Astrophysics Data System (ADS)

Indjin, D.; Todorović, G.; Milanović, V.; Ikonić, Z.

1995-09-01

An alternative formulation of the "shooting" method for a numerical solution of the Schrödinger equation is described for cases of general asymmetric one-dimensional potential (planar geometry), and spherically symmetric potential. The method relies on matching the asymptotic wavefunctions and the potential core region wavefunctions, in course of finding bound states energies. It is demonstrated in the examples of Morse and Kratzer potentials, where a high accuracy of the calculated eigenvalues is found, together with a considerable saving of the computation time.

Programmable Potentials: Approximate N-body potentials from coarse-level logic.

PubMed

Thakur, Gunjan S; Mohr, Ryan; Mezić, Igor

2016-09-27

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is translated into logic rules for the dynamics. Each pairwise potential has an associated logic function that is constructed using the logic rules, a class of elementary logic functions, and AND, OR, and NOT gates. The effect of each logic function is to turn its associated potential on and off. The N-body potential is constructed as linear combination of the pairwise potentials, where the "coefficients" of the potentials are smoothed versions of the associated logic functions. These potentials allow a potentially low-dimensional description of complex processes while still accurately capturing the relevant physics at the meso-scale. We present the proposed formalism to construct coarse-grained potential models for three examples: an inhibitor molecular system, bond breaking in chemical reactions, and DNA transcription from biology. The method can potentially be used in reverse for design of molecular processes by specifying properties of molecules that can carry them out.

Programmable Potentials: Approximate N-body potentials from coarse-level logic

NASA Astrophysics Data System (ADS)

Thakur, Gunjan S.; Mohr, Ryan; Mezić, Igor

2016-09-01

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is translated into logic rules for the dynamics. Each pairwise potential has an associated logic function that is constructed using the logic rules, a class of elementary logic functions, and AND, OR, and NOT gates. The effect of each logic function is to turn its associated potential on and off. The N-body potential is constructed as linear combination of the pairwise potentials, where the “coefficients” of the potentials are smoothed versions of the associated logic functions. These potentials allow a potentially low-dimensional description of complex processes while still accurately capturing the relevant physics at the meso-scale. We present the proposed formalism to construct coarse-grained potential models for three examples: an inhibitor molecular system, bond breaking in chemical reactions, and DNA transcription from biology. The method can potentially be used in reverse for design of molecular processes by specifying properties of molecules that can carry them out.

Programmable Potentials: Approximate N-body potentials from coarse-level logic

PubMed Central

Thakur, Gunjan S.; Mohr, Ryan; Mezić, Igor

2016-01-01

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is translated into logic rules for the dynamics. Each pairwise potential has an associated logic function that is constructed using the logic rules, a class of elementary logic functions, and AND, OR, and NOT gates. The effect of each logic function is to turn its associated potential on and off. The N-body potential is constructed as linear combination of the pairwise potentials, where the “coefficients” of the potentials are smoothed versions of the associated logic functions. These potentials allow a potentially low-dimensional description of complex processes while still accurately capturing the relevant physics at the meso-scale. We present the proposed formalism to construct coarse-grained potential models for three examples: an inhibitor molecular system, bond breaking in chemical reactions, and DNA transcription from biology. The method can potentially be used in reverse for design of molecular processes by specifying properties of molecules that can carry them out. PMID:27671683

Dual stage potential field method for robotic path planning

NASA Astrophysics Data System (ADS)

Singh, Pradyumna Kumar; Parida, Pramod Kumar

2018-04-01

Path planning for autonomous mobile robots are the root for all autonomous mobile systems. Various methods are used for optimization of path to be followed by the autonomous mobile robots. Artificial potential field based path planning method is one of the most used methods for the researchers. Various algorithms have been proposed using the potential field approach. But in most of the common problems are encounters while heading towards the goal or target. i.e. local minima problem, zero potential regions problem, complex shaped obstacles problem, target near obstacle problem. In this paper we provide a new algorithm in which two types of potential functions are used one after another. The former one is to use to get the probable points and later one for getting the optimum path. In this algorithm we consider only the static obstacle and goal.

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

Zhang, Zhiqiang; Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706; Geng, Dalong

A simple and effective decoupled finite element analysis method was developed for simulating both the piezoelectric and flexoelectric effects of zinc oxide (ZnO) and barium titanate (BTO) nanowires (NWs). The piezoelectric potential distribution on a ZnO NW was calculated under three deformation conditions (cantilever, three-point, and four-point bending) and compared to the conventional fully coupled method. The discrepancies of the electric potential maximums from these two methods were found very small, validating the accuracy and effectiveness of the decoupled method. Both ZnO and BTO NWs yielded very similar potential distributions. Comparing the potential distributions induced by the piezoelectric and flexoelectricmore » effects, we identified that the middle segment of a four-point bending NW beam is the ideal place for measuring the flexoelectric coefficient, because the uniform parallel plate capacitor-like potential distribution in this region is exclusively induced by the flexoelectric effect. This decoupled method could provide a valuable guideline for experimental measurements of the piezoelectric effects and flexoelectric effects in the nanometer scale.« less

The effective local potential method: Implementation for molecules and relation to approximate optimized effective potential techniques

NASA Astrophysics Data System (ADS)

Izmaylov, Artur F.; Staroverov, Viktor N.; Scuseria, Gustavo E.; Davidson, Ernest R.; Stoltz, Gabriel; Cancès, Eric

2007-02-01

We have recently formulated a new approach, named the effective local potential (ELP) method, for calculating local exchange-correlation potentials for orbital-dependent functionals based on minimizing the variance of the difference between a given nonlocal potential and its desired local counterpart [V. N. Staroverov et al., J. Chem. Phys. 125, 081104 (2006)]. Here we show that under a mildly simplifying assumption of frozen molecular orbitals, the equation defining the ELP has a unique analytic solution which is identical with the expression arising in the localized Hartree-Fock (LHF) and common energy denominator approximations (CEDA) to the optimized effective potential. The ELP procedure differs from the CEDA and LHF in that it yields the target potential as an expansion in auxiliary basis functions. We report extensive calculations of atomic and molecular properties using the frozen-orbital ELP method and its iterative generalization to prove that ELP results agree with the corresponding LHF and CEDA values, as they should. Finally, we make the case for extending the iterative frozen-orbital ELP method to full orbital relaxation.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system

NASA Astrophysics Data System (ADS)

Kong, Fantai; Longo, Roberto C.; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-01

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO2. A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li2CoO2 and Li-deficient LiCo2O4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system.

PubMed

Kong, Fantai; Longo, Roberto C; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-29

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO 2 . A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li 2 CoO 2 and Li-deficient LiCo 2 O 4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

The Calculation of Potential Energy Curves of Diatomic Molecules: The RKR Method.

ERIC Educational Resources Information Center

Castano, F.; And Others

1983-01-01

The RKR method for determining accurate potential energy curves is described. Advantages of using the method (compared to Morse procedure) and a TRS-80 computer program which calculates the classical turning points by an RKR method are also described. The computer program is available from the author upon request. (Author/JN)

Geothermal Potential Based on Physical Characteristics of the Region (Case Study: Mount Karang, Pandeglang Regency and Banten Province)

NASA Astrophysics Data System (ADS)

Russel, Fhillipo; Damayanti, Astrid; Pin, Tjiong Giok

2018-02-01

This research is about geothermal potential of Mount Karang, Banten Province which is based on the characteristics of the region. This research method used is geochemistry sample of hot springs and integrated with GIS method for spatial of geothermal potential. Based on the geothermal potential, Mount Karang is divided into three regions, ie high potential, normal potential, and low potential. The high geothermal potential region covers an area of 24.16 Km2 and which there are Cisolong and Banjar 2 hot springs. The normal potential covers Kawah hot spring. Index of the fault of Mount Karang region is one of the significant physical characteristics to determine geothermal potential.

Exploring a potential energy surface by machine learning for characterizing atomic transport

NASA Astrophysics Data System (ADS)

Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

2018-03-01

We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

An assessment of two methods for identifying undocumented levees using remotely sensed data

USGS Publications Warehouse

Czuba, Christiana R.; Williams, Byron K.; Westman, Jack; LeClaire, Keith

2015-01-01

Many undocumented and commonly unmaintained levees exist in the landscape complicating flood forecasting, risk management, and emergency response. This report describes a pilot study completed by the U.S. Geological Survey in cooperation with the U.S. Army Corps of Engineers to assess two methods to identify undocumented levees by using remotely sensed, high-resolution topographic data. For the first method, the U.S. Army Corps of Engineers examined hillshades computed from a digital elevation model that was derived from light detection and ranging (lidar) to visually identify potential levees and then used detailed site visits to assess the validity of the identifications. For the second method, the U.S. Geological Survey applied a wavelet transform to a lidar-derived digital elevation model to identify potential levees. The hillshade method was applied to Delano, Minnesota, and the wavelet-transform method was applied to Delano and Springfield, Minnesota. Both methods were successful in identifying levees but also identified other features that required interpretation to differentiate from levees such as constructed barriers, high banks, and bluffs. Both methods are complementary to each other, and a potential conjunctive method for testing in the future includes (1) use of the wavelet-transform method to rapidly identify slope-break features in high-resolution topographic data, (2) further examination of topographic data using hillshades and aerial photographs to classify features and map potential levees, and (3) a verification check of each identified potential levee with local officials and field visits.

FINITE EXPANSION METHOD FOR THE CALCULATION AND INTERPRETATION OF MOLECULAR ELECTROSTATIC POTENTIALS

EPA Science Inventory

Because it is useful to have the molecular electrostatic potential as an element in a complex scheme to assess the toxicity of large molecules, efficient and reliable methods are needed for the calculation and characterization of these potentials. A multicenter multipole expansio...

Generalized alternating stimulation: a novel method to reduce stimulus artifact in electrically evoked compound action potentials.

PubMed

Alvarez, Isaac; de la Torre, Angel; Sainz, Manuel; Roldan, Cristina; Schoesser, Hansjoerg; Spitzer, Philipp

2007-09-15

Stimulus artifact is one of the main limitations when considering electrically evoked compound action potential for clinical applications. Alternating stimulation (average of recordings obtained with anodic-cathodic and cathodic-anodic bipolar stimulation pulses) is an effective method to reduce stimulus artifact when evoked potentials are recorded. In this paper we extend the concept of alternating stimulation by combining anodic-cathodic and cathodic-anodic recordings with a weight in general different to 0.5. We also provide an automatic method to obtain an estimation of the optimal weights. Comparison with conventional alternating, triphasic stimulation and masker-probe paradigm shows that the generalized alternating method improves the quality of electrically evoked compound action potential responses.

Analysis on Potential of Electric Energy Market based on Large Industrial Consumer

NASA Astrophysics Data System (ADS)

Lin, Jingyi; Zhu, Xinzhi; Yang, Shuo; Xia, Huaijian; Yang, Di; Li, Hao; Lin, Haiying

2018-01-01

The implementation of electric energy substitution by enterprises plays an important role in promoting the development of energy conservation and emission reduction in china. In order to explore alternative energy potential of industrial enterprises, to simulate and analyze the process of industrial enterprises, identify high energy consumption process and equipment, give priority to alternative energy technologies, and determine the enterprise electric energy substitution potential predictive value, this paper constructs the evaluation model of the influence factors of the electric energy substitution potential of industrial enterprises, and uses the combined weight method to determine the weight value of the evaluation factors to calculate the target value of the electric energy substitution potential. Taking the iron and steel industry as an example, this method is used to excavate the potential. The results show that the method can effectively tap the potential of the electric power industry

Relativistic extension of the Kay-Moses method for constructing transparent potentials in quantum mechanics

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

Toyama, F.M.; Nogami, Y.; Zhao, Z.

1993-02-01

For the Dirac equation in one space dimension with a potential of the Lorentz scalar type, we present a complete solution for the problem of constructing a transparent potential. This is a relativistic extension of the Kay-Moses method which was developed for the nonrelativistic Schroedinger equation. There is an infinite family of transparent potentials. The potentials are all related to solutions of a class of coupled, nonlinear Dirac equations. In addition, it is argued that an admixture of a Lorentz vector component in the potential impairs perfect transparency.

A Comparison between Survey and Verbal Choice Methods of Identifying Potential Reinforcers among Employees

ERIC Educational Resources Information Center

Wilder, David A; Therrien, Kelly; Wine, Byron

2006-01-01

Two methods of assessing preference for stimuli (i.e., potential reinforcers) were compared for adult administrative assistant employees. During Phase 1, a survey method and a verbal choice method of assessing preference for 6 stimuli were administered. During Phase 2, a coupon system was used to determine which categories of stimuli actually…

Electrochemical nitridation of metal surfaces

DOEpatents

Wang, Heli; Turner, John A.

2015-06-30

Electrochemical nitridation of metals and the produced metals are disclosed. An exemplary method of electrochemical nitridation of metals comprises providing an electrochemical solution at low temperature. The method also comprises providing a three-electrode potentiostat system. The method also comprises stabilizing the three-electrode potentiostat system at open circuit potential. The method also comprises applying a cathodic potential to a metal.

Full-Potential Modeling of Blade-Vortex Interactions. Degree awarded by George Washington Univ., Feb. 1987

NASA Technical Reports Server (NTRS)

Jones, Henry E.

1997-01-01

A study of the full-potential modeling of a blade-vortex interaction was made. A primary goal of this study was to investigate the effectiveness of the various methods of modeling the vortex. The model problem restricts the interaction to that of an infinite wing with an infinite line vortex moving parallel to its leading edge. This problem provides a convenient testing ground for the various methods of modeling the vortex while retaining the essential physics of the full three-dimensional interaction. A full-potential algorithm specifically tailored to solve the blade-vortex interaction (BVI) was developed to solve this problem. The basic algorithm was modified to include the effect of a vortex passing near the airfoil. Four different methods of modeling the vortex were used: (1) the angle-of-attack method, (2) the lifting-surface method, (3) the branch-cut method, and (4) the split-potential method. A side-by-side comparison of the four models was conducted. These comparisons included comparing generated velocity fields, a subcritical interaction, and a critical interaction. The subcritical and critical interactions are compared with experimentally generated results. The split-potential model was used to make a survey of some of the more critical parameters which affect the BVI.

[The modified method registration of kinesthetic evoked potentials and its application for research of proprioceptive sensitivity disorders at spondylogenic cervical myelopathy].

PubMed

Gordeev, S A; Voronin, S G

2016-01-01

To analyze the efficacy of modified (passive radiocarpal articulation flexion/extension) and «standard» (passive radiocarpal articulation flexion) methods of kinesthetic evoked potentials for proprioceptive sensitivity assessment in healthy subjects and patients with spondylotic cervical myelopathy. The study included 14 healthy subjects (4 women and 10 men, mean age 54.1±10.5 years) and 8 patients (2 women and 6 men, mean age 55.8±10.9 years) with spondylotic cervical myelopathy. Muscle-joint sensation was examined during the clinical study. A modified method of kinesthetic evoked potentials was developed. This method differed from the "standard" one by the organization of a cycle including several passive movements,where each new movement differed from the preceding one by the direction. The modified method of kinesthetic evoked potentials ensures more reliable kinesthetic sensitivity assessment due to movement variability. Asignificant increaseof the latent periods of the early components of the response was found in patients compared to healthy subjects. The modified method of kinesthetic evoked potentials can be used for objective diagnosis of proprioceptive sensitivity disorders in patients with spondylotic cervical myelopathy.

Rapid detection of Listeria monocytogenes in raw milk and soft cheese by a redox potential measurement based method combined with real-time PCR.

PubMed

Erdősi, Orsolya; Szakmár, Katalin; Reichart, Olivér; Szili, Zsuzsanna; László, Noémi; Székely Körmöczy, Péter; Laczay, Péter

2014-09-01

The incidence of outbreaks of foodborne listeriosis has indicated the need for a reliable and rapid detection of the microbe in different foodstuffs. A method combining redox potential measurement and real-time polymerase chain reaction (PCR) was developed to detect Listeria monocytogenes in artificially contaminated raw milk and soft cheese. Food samples of 25 g or 25 ml were homogenised in 225 ml of Listeria Enrichment Broth (LEB) with Oxford supplement, and the redox potential measurement technique was applied. For Listeria species the measuring time was maximum 34 h. The absence of L. monocytogenes could reliably be proven by the redox potential measurement method, but Listeria innocua and Bacillus subtilis could not be differentiated from L. monocytogenes on the basis of the redox curves. The presence of L. monocytogenes had to be confirmed by real-time PCR. The combination of these two methods proved to detect < 10 cfu/g of L. monocytogenes in a cost- and time-effective manner. This method can potentially be used as an alternative to the standard nutrient method for the rapid detection of L. monocytogenes in food.

40 CFR 63.1046 - Test methods and procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Method 21 of 40 CFR part 60, appendix A. Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak... 60, appendix A. (7) Each potential leak interface shall be checked by traversing the instrument probe...

40 CFR 63.1046 - Test methods and procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Method 21 of 40 CFR part 60, appendix A. Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak... 60, appendix A. (7) Each potential leak interface shall be checked by traversing the instrument probe...

40 CFR 63.1046 - Test methods and procedures.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Method 21 of 40 CFR part 60, appendix A. Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak... 60, appendix A. (7) Each potential leak interface shall be checked by traversing the instrument probe...

40 CFR 63.945 - Test methods and procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

..., appendix A. Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated... determined according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak...

40 CFR 63.945 - Test methods and procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

..., appendix A. Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated... determined according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak...

40 CFR 63.925 - Test methods and procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

.... Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated with... according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak interface...

40 CFR 63.925 - Test methods and procedures.

Code of Federal Regulations, 2012 CFR

2012-07-01

.... Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated with... according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak interface...

40 CFR 63.905 - Test methods and procedures.

Code of Federal Regulations, 2012 CFR

2012-07-01

.... Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated with... according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak interface...

40 CFR 63.905 - Test methods and procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

.... Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated with... according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak interface...

40 CFR 63.905 - Test methods and procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

.... Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated with... according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak interface...

40 CFR 63.925 - Test methods and procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

.... Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated with... according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak interface...

40 CFR 63.945 - Test methods and procedures.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., appendix A. Each potential leak interface (i.e., a location where organic vapor leakage could occur) on the cover and associated closure devices shall be checked. Potential leak interfaces that are associated... determined according to the procedures in Method 21 of 40 CFR part 60, appendix A. (7) Each potential leak...

Constructing a multidimensional free energy surface like a spider weaving a web.

PubMed

Chen, Changjun

2017-10-15

Complete free energy surface in the collective variable space provides important information of the reaction mechanisms of the molecules. But, sufficient sampling in the collective variable space is not easy. The space expands quickly with the number of the collective variables. To solve the problem, many methods utilize artificial biasing potentials to flatten out the original free energy surface of the molecule in the simulation. Their performances are sensitive to the definitions of the biasing potentials. Fast-growing biasing potential accelerates the sampling speed but decreases the accuracy of the free energy result. Slow-growing biasing potential gives an optimized result but needs more simulation time. In this article, we propose an alternative method. It adds the biasing potential to a representative point of the molecule in the collective variable space to improve the conformational sampling. And the free energy surface is calculated from the free energy gradient in the constrained simulation, not given by the negative of the biasing potential as previous methods. So the presented method does not require the biasing potential to remove all the barriers and basins on the free energy surface exactly. Practical applications show that the method in this work is able to produce the accurate free energy surfaces for different molecules in a short time period. The free energy errors are small in the cases of various biasing potentials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Resonances in piecewise potentials and Supersymmetric Quantum Mechanics (SUSY-QM) for the construction of optical potentials

NASA Astrophysics Data System (ADS)

Orozco Cortés, Luis Fernando; Fernández García, Nicolás

2014-05-01

A method to obtain the general solution of any constant piecewise potential is presented, this is achieved by means of the analysis of the transfer matrices in each cutoff. The resonance phenomenon together with the supersymmetric quantum mechanics technique allow us to construct a wide family of complex potentials which can be used as theoretical models for optical systems. The method is applied to the particular case for which the potential function has six cutoff points.

The Noninvasive Measurement of X-Ray Tube Potential.

NASA Astrophysics Data System (ADS)

Ranallo, Frank Nunzio

In this thesis I briefly describe the design of clinical x-ray imaging systems and also the various methods of measuring x-ray tube potential, both invasive and noninvasive. I also discuss the meaning and usage of the quantities tube potential (kV) and peak tube potential (kVp) with reference to x-ray systems used in medical imaging. I propose that there exist several quantities which describe different important aspects of the tube potential as a function of time. These quantities are measurable and can be well defined. I have developed a list of definitions of these quantities along with suggested names and symbols. I describe the development and physical principles of a superior noninvasive method of tube potential measurement along with the instrumentation used to implement this method. This thesis research resulted in the development of several commercial kVp test devices (or "kVp Meters") for which the actual measurement procedure is simple, rapid, and reliable compared to other methods, invasive or noninvasive. These kVp test devices provide measurements with a high level of accuracy and reliability over a wide range of test conditions. They provide results which are more reliable and clinically meaningful than many other, more primary and invasive methods. The errors inherent in these new kVp test devices were investigated and methods to minimize them are discussed.

Imaging Action Potential in Single Mammalian Neurons by Tracking the Accompanying Sub-Nanometer Mechanical Motion.

PubMed

Yang, Yunze; Liu, Xian-Wei; Wang, Hui; Yu, Hui; Guan, Yan; Wang, Shaopeng; Tao, Nongjian

2018-03-28

Action potentials in neurons have been studied traditionally by intracellular electrophysiological recordings and more recently by the fluorescence detection methods. Here we describe a label-free optical imaging method that can measure mechanical motion in single cells with a sub-nanometer detection limit. Using the method, we have observed sub-nanometer mechanical motion accompanying the action potential in single mammalian neurons by averaging the repeated action potential spikes. The shape and width of the transient displacement are similar to those of the electrically recorded action potential, but the amplitude varies from neuron to neuron, and from one region of a neuron to another, ranging from 0.2-0.4 nm. The work indicates that action potentials may be studied noninvasively in single mammalian neurons by label-free imaging of the accompanying sub-nanometer mechanical motion.

Novel scheme to compute chemical potentials of chain molecules on a lattice

NASA Astrophysics Data System (ADS)

Mooij, G. C. A. M.; Frenkel, D.

We present a novel method that allows efficient computation of the total number of allowed conformations of a chain molecule in a dense phase. Using this method, it is possible to estimate the chemical potential of such a chain molecule. We have tested the present method in simulations of a two-dimensional monolayer of chain molecules on a lattice (Whittington-Chapman model) and compared it with existing schemes to compute the chemical potential. We find that the present approach is two to three orders of magnitude faster than the most efficient of the existing methods.

Streaming potentials in gramicidin channels measured with ion-selective microelectrodes.

PubMed Central

Tripathi, S; Hladky, S B

1998-01-01

Streaming potentials have been measured for gramicidin channels with a new method employing ion-selective microelectrodes. It is shown that ideally ion-selective electrodes placed at the membrane surface record the true streaming potential. Using this method for ion concentrations below 100 mM, approximately seven water molecules are transported whenever a sodium, potassium, or cesium ion, passes through the channel. This new method confirms earlier measurements (Rosenberg, P.A., and A. Finkelstein. 1978. Interaction of ions and water in gramicidin A channels. J. Gen. Physiol. 72:327-340) in which the streaming potentials were calculated as the difference between electrical potentials measured in the presence of gramicidin and in the presence of the ion carriers valinomycin and nonactin. PMID:9635745

A regularization method for extrapolation of solar potential magnetic fields

NASA Technical Reports Server (NTRS)

Gary, G. A.; Musielak, Z. E.

1992-01-01

The mathematical basis of a Tikhonov regularization method for extrapolating the chromospheric-coronal magnetic field using photospheric vector magnetograms is discussed. The basic techniques show that the Cauchy initial value problem can be formulated for potential magnetic fields. The potential field analysis considers a set of linear, elliptic partial differential equations. It is found that, by introducing an appropriate smoothing of the initial data of the Cauchy potential problem, an approximate Fourier integral solution is found, and an upper bound to the error in the solution is derived. This specific regularization technique, which is a function of magnetograph measurement sensitivities, provides a method to extrapolate the potential magnetic field above an active region into the chromosphere and low corona.

Research on social communication network evolution based on topology potential distribution

NASA Astrophysics Data System (ADS)

Zhao, Dongjie; Jiang, Jian; Li, Deyi; Zhang, Haisu; Chen, Guisheng

2011-12-01

Aiming at the problem of social communication network evolution, first, topology potential is introduced to measure the local influence among nodes in networks. Second, from the perspective of topology potential distribution the method of network evolution description based on topology potential distribution is presented, which takes the artificial intelligence with uncertainty as basic theory and local influence among nodes as essentiality. Then, a social communication network is constructed by enron email dataset, the method presented is used to analyze the characteristic of the social communication network evolution and some useful conclusions are got, implying that the method is effective, which shows that topology potential distribution can effectively describe the characteristic of sociology and detect the local changes in social communication network.

Density-to-Potential Inversions to Guide Development of Exchange-Correlation Approximations at Finite Temperature

NASA Astrophysics Data System (ADS)

Jensen, Daniel; Wasserman, Adam; Baczewski, Andrew

The construction of approximations to the exchange-correlation potential for warm dense matter (WDM) is a topic of significant recent interest. In this work, we study the inverse problem of Kohn-Sham (KS) DFT as a means of guiding functional design at zero temperature and in WDM. Whereas the forward problem solves the KS equations to produce a density from a specified exchange-correlation potential, the inverse problem seeks to construct the exchange-correlation potential from specified densities. These two problems require different computational methods and convergence criteria despite sharing the same mathematical equations. We present two new inversion methods based on constrained variational and PDE-constrained optimization methods. We adapt these methods to finite temperature calculations to reveal the exchange-correlation potential's temperature dependence in WDM-relevant conditions. The different inversion methods presented are applied to both non-interacting and interacting model systems for comparison. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94.

Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium

DOE PAGES

Mendelev, M. I.; Underwood, T. L.; Ackland, G. J.

2016-10-17

New interatomic potentials describing defects, plasticity, and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine it. We apply a molecular dynamics method based on determination of the melting temperature of competing solid phases, and Gibbs-Helmholtz integration, and a lattice-switch Monte Carlo method: these agree on the hcp-bcc transformation temperatures to within 2 K. We were able to develop embedded atom potentials which give a good fit to either low or high temperature data, but not both. The first developed potential (Ti1) reproduces the hcp-bcc transformationmore » and melting temperatures and is suitable for the simulation of phase transitions and bcc Ti. Two other potentials (Ti2 and Ti3) correctly describe defect properties and can be used to simulate plasticity or radiation damage in hcp Ti. The fact that a single embedded atom method potential cannot describe both low and high temperature phases may be attributed to neglect of electronic degrees of freedom, notably bcc has a much higher electronic entropy. As a result, a temperature-dependent potential obtained from the combination of potentials Ti1 and Ti2 may be used to simulate Ti properties at any temperature.« less

Exact exchange-correlation potentials of singlet two-electron systems

NASA Astrophysics Data System (ADS)

Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

2017-10-01

We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

Neural network approach for the calculation of potential coefficients in quantum mechanics

NASA Astrophysics Data System (ADS)

Ossandón, Sebastián; Reyes, Camilo; Cumsille, Patricio; Reyes, Carlos M.

2017-05-01

A numerical method based on artificial neural networks is used to solve the inverse Schrödinger equation for a multi-parameter class of potentials. First, the finite element method was used to solve repeatedly the direct problem for different parametrizations of the chosen potential function. Then, using the attainable eigenvalues as a training set of the direct radial basis neural network a map of new eigenvalues was obtained. This relationship was later inverted and refined by training an inverse radial basis neural network, allowing the calculation of the unknown parameters and therefore estimating the potential function. Three numerical examples are presented in order to prove the effectiveness of the method. The results show that the method proposed has the advantage to use less computational resources without a significant accuracy loss.

Using the Screened Coulomb Potential to Illustrate the Variational Method

ERIC Educational Resources Information Center

Zuniga, Jose; Bastida, Adolfo; Requena, Alberto

2012-01-01

The screened Coulomb potential, or Yukawa potential, is used to illustrate the application of the single and linear variational methods. The trial variational functions are expressed in terms of Slater-type functions, for which the integrals needed to carry out the variational calculations are easily evaluated in closed form. The variational…

A comparison of methods of estimating potential evapotranspiration from climatological data in arid and subhumid environments

USGS Publications Warehouse

Cruff, R.W.; Thompson, T.H.

1967-01-01

This study compared potential evapotranspiration, computed from climatological data by each of six empirical methods, with pan evaporation adjusted to equivalent lake evaporation by regional coefficients. The six methods tested were the Thornthwaite, U.S. Weather Bureau (a modification of the Permian method), Lowry-Johnson, Blaney-Criddle, Lane, and Hamon methods. The test was limited to 25 sites in the arid and subhumid parts of Arizona, California, and Nevada, where pan evaporation and concurrent climatological data were available. However, some of the sites lacked complete climatological data for the application of all six methods. Average values of adjusted pan evaporation and computed potential evapotransp4ration were compared for two periods---the calendar year and the 6-month period from May 1 through October 31. The 25 sites sampled a wide range of climatic conditions. Ten sites (group 1) were in a highly arid environment and four (group 2) were in an arid environment that was modified by extensive irrigation. The remaining 11 sites (group 3) were in a subhumid environment. Only the Weather Bureau method gave estimates of potential evapotranspiration that closely agreed with the adjusted pan evaporation at all sites where the method was used. However, lack of climatological data restricted the use of the Weather Bureau method to seven sites. Results obtained by use of the Thornthwaite, Lowry-Johnson, and Hamon methods were consistently low. Results obtained by use of the Lane method agreed with adjusted pan evaporation at the group 1 sites but were consistently high at the group 2 and 3 sites. During the analysis it became apparent that adjusted pan evaporation in an arid environment (group 1 sites) was a spurious standard for evaluating the reliability of .the methods that were tested. Group 1 data were accordingly not considered when making conclusions as ,to which of the six methods tested was best. The results of this study for group 2 and 3 data indicated that the Blaney-Criddle method, which uses climatological data that can be readily obtained or deduced, was the most practical of the six methods for estimating potential evapotranspiration. At all 15 sites in the two environments, potential evapotranspiration computed by the Blaney-Criddle method checked the adjusted pan evaporation within ?22 percent. This percentage range is generally considered to be the range of reliability for estimating lake evaporation from evaporation pans.

Validating a Coarse-Grained Potential Energy Function through Protein Loop Modelling

PubMed Central

MacDonald, James T.; Kelley, Lawrence A.; Freemont, Paul S.

2013-01-01

Coarse-grained (CG) methods for sampling protein conformational space have the potential to increase computational efficiency by reducing the degrees of freedom. The gain in computational efficiency of CG methods often comes at the expense of non-protein like local conformational features. This could cause problems when transitioning to full atom models in a hierarchical framework. Here, a CG potential energy function was validated by applying it to the problem of loop prediction. A novel method to sample the conformational space of backbone atoms was benchmarked using a standard test set consisting of 351 distinct loops. This method used a sequence-independent CG potential energy function representing the protein using -carbon positions only and sampling conformations with a Monte Carlo simulated annealing based protocol. Backbone atoms were added using a method previously described and then gradient minimised in the Rosetta force field. Despite the CG potential energy function being sequence-independent, the method performed similarly to methods that explicitly use either fragments of known protein backbones with similar sequences or residue-specific /-maps to restrict the search space. The method was also able to predict with sub-Angstrom accuracy two out of seven loops from recently solved crystal structures of proteins with low sequence and structure similarity to previously deposited structures in the PDB. The ability to sample realistic loop conformations directly from a potential energy function enables the incorporation of additional geometric restraints and the use of more advanced sampling methods in a way that is not possible to do easily with fragment replacement methods and also enable multi-scale simulations for protein design and protein structure prediction. These restraints could be derived from experimental data or could be design restraints in the case of computational protein design. C++ source code is available for download from http://www.sbg.bio.ic.ac.uk/phyre2/PD2/. PMID:23824634

Direct current electrical potential measurement of the growth of small cracks

NASA Technical Reports Server (NTRS)

Gangloff, Richard P.; Slavik, Donald C.; Piascik, Robert S.; Van Stone, Robert H.

1992-01-01

The analytical and experimental aspects of the direct-current electrical potential difference (dcEPD) method for continuous monitoring of the growth kinetics of short (50 to 500 microns) fatigue cracks are reviewed, and successful applications of the deEPD method to study fatigue crack propagation in a variety of metallic alloys exposed to various environments are described. Particular attention is given to the principle of the dcEPD method, the analytical electrical potential calibration relationships, and the experimental procedures and equipment.

Using the surface panel method to predict the steady performance of ducted propellers

NASA Astrophysics Data System (ADS)

Cai, Hao-Peng; Su, Yu-Min; Li, Xin; Shen, Hai-Long

2009-12-01

A new numerical method was developed for predicting the steady hydrodynamic performance of ducted propellers. A potential based surface panel method was applied both to the duct and the propeller, and the interaction between them was solved by an induced velocity potential iterative method. Compared with the induced velocity iterative method, the method presented can save programming and calculating time. Numerical results for a JD simplified ducted propeller series showed that the method presented is effective for predicting the steady hydrodynamic performance of ducted propellers.

Mapping potential zones for groundwater recharge and its evaluation in arid environments using a GIS approach: Case study of North Gafsa Basin (Central Tunisia)

NASA Astrophysics Data System (ADS)

Mokadem, Naziha; Boughariou, Emna; Mudarra, Matías; Ben Brahim, Fatma; Andreo, Bartolome; Hamed, Younes; Bouri, Salem

2018-05-01

With the progressive evolution of industrial sector, agricultural, urbanization, population and drinking water supply, the water demand continuously increases which necessitates the planning of groundwater recharge particularly in arid and semi-arid regions. This paper gives a comprehensive review of various recharges studies in the North Gafsa basin (South Tunisia). This latter is characterized by a natural groundwater recharge that is deeply affected by the lack of precipitations. The aim of this study is to determine the recharge potential zones and to quantify (or estimate) the rainfall recharge of the shallow aquifers. The mapping of the potential recharge zones was established in North Gafsa basin, using geological and hydrological parameters such as slope, lithology, topography and stream network. Indeed, GIS provide tools to reclassify these input layers to produce the final map of groundwater potential zones of the study area. The final output map reveals two distinct zones representing moderate and low groundwater potential recharge. Recharge estimations were based on the four methods: (1) Chloride Method, (2) ERAS Method, (3) DGRE coefficient and (4) Fersi equations. Therefore, the overall results of the different methods demonstrate that the use of the DGRE method applying on the potential zones is more validated.

The orbital PDF: general inference of the gravitational potential from steady-state tracers

NASA Astrophysics Data System (ADS)

Han, Jiaxin; Wang, Wenting; Cole, Shaun; Frenk, Carlos S.

2016-02-01

We develop two general methods to infer the gravitational potential of a system using steady-state tracers, I.e. tracers with a time-independent phase-space distribution. Combined with the phase-space continuity equation, the time independence implies a universal orbital probability density function (oPDF) dP(λ|orbit) ∝ dt, where λ is the coordinate of the particle along the orbit. The oPDF is equivalent to Jeans theorem, and is the key physical ingredient behind most dynamical modelling of steady-state tracers. In the case of a spherical potential, we develop a likelihood estimator that fits analytical potentials to the system and a non-parametric method (`phase-mark') that reconstructs the potential profile, both assuming only the oPDF. The methods involve no extra assumptions about the tracer distribution function and can be applied to tracers with any arbitrary distribution of orbits, with possible extension to non-spherical potentials. The methods are tested on Monte Carlo samples of steady-state tracers in dark matter haloes to show that they are unbiased as well as efficient. A fully documented C/PYTHON code implementing our method is freely available at a GitHub repository linked from http://icc.dur.ac.uk/data/#oPDF.

A direct potential fitting RKR method: Semiclassical vs. quantal comparisons

NASA Astrophysics Data System (ADS)

Tellinghuisen, Joel

2016-12-01

Quantal and semiclassical (SC) eigenvalues are compared for three diatomic molecular potential curves: the X state of CO, the X state of Rb2, and the A state of I2. The comparisons show higher levels of agreement than generally recognized, when the SC calculations incorporate a quantum defect correction to the vibrational quantum number, in keeping with the Kaiser modification. One particular aspect of this is better agreement between quantal and SC estimates of the zero-point vibrational energy, supporting the need for the Y00 correction in this context. The pursuit of a direct-potential-fitting (DPF) RKR method is motivated by the notion that some of the limitations of RKR potentials may be innate, from their generation by an exact inversion of approximate quantities: the vibrational energy Gυ and rotational constant Bυ from least-squares analysis of spectroscopic data. In contrast, the DPF RKR method resembles the quantal DPF methods now increasingly used to analyze diatomic spectral data, but with the eigenvalues obtained from SC phase integrals. Application of this method to the analysis of 9500 assigned lines in the I2A ← X spectrum fails to alter the quantal-SC disparities found for the A-state RKR curve from a previous analysis. On the other hand, the SC method can be much faster than the quantal method in exploratory work with different potential functions, where it is convenient to use finite-difference methods to evaluate the partial derivatives required in nonlinear fitting.

Quadratic String Method for Locating Instantons in Tunneling Splitting Calculations.

PubMed

Cvitaš, Marko T

2018-03-13

The ring-polymer instanton (RPI) method is an efficient technique for calculating approximate tunneling splittings in high-dimensional molecular systems. In the RPI method, tunneling splitting is evaluated from the properties of the minimum action path (MAP) connecting the symmetric wells, whereby the extensive sampling of the full potential energy surface of the exact quantum-dynamics methods is avoided. Nevertheless, the search for the MAP is usually the most time-consuming step in the standard numerical procedures. Recently, nudged elastic band (NEB) and string methods, originaly developed for locating minimum energy paths (MEPs), were adapted for the purpose of MAP finding with great efficiency gains [ J. Chem. Theory Comput. 2016 , 12 , 787 ]. In this work, we develop a new quadratic string method for locating instantons. The Euclidean action is minimized by propagating the initial guess (a path connecting two wells) over the quadratic potential energy surface approximated by means of updated Hessians. This allows the algorithm to take many minimization steps between the potential/gradient calls with further reductions in the computational effort, exploiting the smoothness of potential energy surface. The approach is general, as it uses Cartesian coordinates, and widely applicable, with computational effort of finding the instanton usually lower than that of determining the MEP. It can be combined with expensive potential energy surfaces or on-the-fly electronic-structure methods to explore a wide variety of molecular systems.

Transonic Flow Computations Using Nonlinear Potential Methods

NASA Technical Reports Server (NTRS)

Holst, Terry L.; Kwak, Dochan (Technical Monitor)

2000-01-01

This presentation describes the state of transonic flow simulation using nonlinear potential methods for external aerodynamic applications. The presentation begins with a review of the various potential equation forms (with emphasis on the full potential equation) and includes a discussion of pertinent mathematical characteristics and all derivation assumptions. Impact of the derivation assumptions on simulation accuracy, especially with respect to shock wave capture, is discussed. Key characteristics of all numerical algorithm types used for solving nonlinear potential equations, including steady, unsteady, space marching, and design methods, are described. Both spatial discretization and iteration scheme characteristics are examined. Numerical results for various aerodynamic applications are included throughout the presentation to highlight key discussion points. The presentation ends with concluding remarks and recommendations for future work. Overall. nonlinear potential solvers are efficient, highly developed and routinely used in the aerodynamic design environment for cruise conditions. Published by Elsevier Science Ltd. All rights reserved.

The dimension split element-free Galerkin method for three-dimensional potential problems

NASA Astrophysics Data System (ADS)

Meng, Z. J.; Cheng, H.; Ma, L. D.; Cheng, Y. M.

2018-06-01

This paper presents the dimension split element-free Galerkin (DSEFG) method for three-dimensional potential problems, and the corresponding formulae are obtained. The main idea of the DSEFG method is that a three-dimensional potential problem can be transformed into a series of two-dimensional problems. For these two-dimensional problems, the improved moving least-squares (IMLS) approximation is applied to construct the shape function, which uses an orthogonal function system with a weight function as the basis functions. The Galerkin weak form is applied to obtain a discretized system equation, and the penalty method is employed to impose the essential boundary condition. The finite difference method is selected in the splitting direction. For the purposes of demonstration, some selected numerical examples are solved using the DSEFG method. The convergence study and error analysis of the DSEFG method are presented. The numerical examples show that the DSEFG method has greater computational precision and computational efficiency than the IEFG method.

The analytical transfer matrix method for PT-symmetric complex potential

NASA Astrophysics Data System (ADS)

Naceri, Leila; Hammou, Amine B.

2017-07-01

We have extended the analytical transfer matrix (ATM) method to solve quantum mechanical bound state problems with complex PT-symmetric potentials. Our work focuses on a class of models studied by Bender and Jones, we calculate the energy eigenvalues, discuss the critical values of g and compare the results with those obtained from other methods such as exact numerical computation and WKB approximation method.

Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods

NASA Astrophysics Data System (ADS)

Schröder, Markus; Meyer, Hans-Dieter

2017-08-01

We propose a Monte Carlo method, "Monte Carlo Potfit," for transforming high-dimensional potential energy surfaces evaluated on discrete grid points into a sum-of-products form, more precisely into a Tucker form. To this end we use a variational ansatz in which we replace numerically exact integrals with Monte Carlo integrals. This largely reduces the numerical cost by avoiding the evaluation of the potential on all grid points and allows a treatment of surfaces up to 15-18 degrees of freedom. We furthermore show that the error made with this ansatz can be controlled and vanishes in certain limits. We present calculations on the potential of HFCO to demonstrate the features of the algorithm. To demonstrate the power of the method, we transformed a 15D potential of the protonated water dimer (Zundel cation) in a sum-of-products form and calculated the ground and lowest 26 vibrationally excited states of the Zundel cation with the multi-configuration time-dependent Hartree method.

An Investigation of Applications for Thermodynamic Work Potential Methods: Working Tables and Charts for Estimation of Thermodynamic Work Potential in Equilibrium Mixtures of Jet-A and Air

NASA Technical Reports Server (NTRS)

Mavris, Dimitri; Roth, Bryce; McDonald, Rob

2002-01-01

The objective of this report is to provide a tool to facilitate the application of thermodynamic work potential methods to aircraft and engine analysis. This starts with a discussion of the theoretical background underlying these methods, which is then used to derive various equations useful for thermodynamic analysis of aircraft engines. The work potential analysis method is implemented in the form of a set of working charts and tables that can be used to graphically evaluate work potential stored in high-enthalpy gas. The range of validity for these tables is 300 to 36,000 R, pressures between between 0.01 atm and 100 atm, and fuel-air ratios from zero to stoichiometric. The derivations and charts assume mixtures of Jet-A and air as the working fluid. The thermodynamic properties presented in these charts were calculated based upon standard thermodynamic curve fits.

Representation of magnetic fields in space. [special attention to Geomagnetic fields and Magnetospheric models

NASA Technical Reports Server (NTRS)

Stern, D. P.

1976-01-01

Several mathematical methods which are available for the description of magnetic fields in space are reviewed. Examples of the application of such methods are given, with particular emphasis on work related to the geomagnetic field, and their individual properties and associated problems are described. The methods are grouped in five main classes: (1) methods based on the current density, (2) methods using the scalar magnetic potential, (3) toroidal and poloidal components of the field and spherical vector harmonics, (4) Euler potentials, and (5) local expansions of the field near a given reference point. Special attention is devoted to models of the magnetosphere, to the uniqueness of the scalar potential as derived from observed data, and to the L parameter.

Field matric potential sensor

DOEpatents

Hubbell, Joel M.; Sisson, James B.

2001-01-01

A method of determining matric potential of a sample, the method comprising placing the sample in a container, the container having an opening; and contacting the sample with a tensiometer via the opening. An apparatus for determining matric potential of a sample, the apparatus comprising a housing configured to receive a sample; a portable matric potential sensing device extending into the housing and having a porous member; and a wall closing the housing to insulate the sample and at least a portion of the matric potential sensing device including the porous member.

Studying Current-Potential Curves Using a Bipotentiometric Lodometric Back-Titration for the Determination of Ascorbic Acid in Fruits and Vegetables

ERIC Educational Resources Information Center

Verdini, Roxana A.; Lagier, Claudia M.

2004-01-01

Voltammetry principles are introduced to students by means of a bipotentiometric method to determine vitamin C in fruits and vegetables. The aim is to draw attention to voltammetric methods, particular to the study of current-potential curves, stressing the potential applicability in areas of food quality control.

77 FR 8258 - Availability of ICCVAM Evaluation Report and Recommendations on the Usefulness and Limitations of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-14

... development of BG1Luc ER TA test method performance standards. ICCVAM assigned the activities a high priority... Vitro Test Methods for Detecting Potential Endocrine Disruptors. Research Triangle Park, NC: National...Final.pdf . ICCVAM. 2003a. ICCVAM Evaluation of In Vitro Test Methods For Detecting Potential Endocrine...

An induced current method for measuring zeta potential of electrolyte solution-air interface.

PubMed

Song, Yongxin; Zhao, Kai; Wang, Junsheng; Wu, Xudong; Pan, Xinxiang; Sun, Yeqing; Li, Dongqing

2014-02-15

This paper reports a novel and very simple method for measuring the zeta potential of electrolyte solution-air interface. When a measuring electrode contacts the electrolyte solution-air interface, an electrical current will be generated due to the potential difference between the electrode-air surface and the electrolyte solution-air interface. The amplitude of the measured electric signal is linearly proportional to this potential difference; and depends only on the zeta potential at the electrolyte solution-air interface, regardless of the types and concentrations of the electrolyte. A correlation between the zeta potential and the measured voltage signal is obtained based on the experimental data. Using this equation, the zeta potential of any electrolyte solution-air interface can be evaluated quickly and easily by inserting an electrode through the electrolyte solution-air interface and measuring the electrical signal amplitude. This method was verified by comparing the obtained results of NaCl, MgCl2 and CaCl2 solutions of different pH values and concentrations with the zeta potential data reported in the published journal papers. Copyright © 2013 Elsevier Inc. All rights reserved.

Phase shifts in I = 2 ππ-scattering from two lattice approaches

NASA Astrophysics Data System (ADS)

Kurth, T.; Ishii, N.; Doi, T.; Aoki, S.; Hatsuda, T.

2013-12-01

We present a lattice QCD study of the phase shift of I = 2 ππ scattering on the basis of two different approaches: the standard finite volume approach by Lüscher and the recently introduced HAL QCD potential method. Quenched QCD simulations are performed on lattices with extents N s = 16 , 24 , 32 , 48 and N t = 128 as well as lattice spacing a ~ 0 .115 fm and a pion mass of m π ~ 940 MeV. The phase shift and the scattering length are calculated in these two methods. In the potential method, the error is dominated by the systematic uncertainty associated with the violation of rotational symmetry due to finite lattice spacing. In Lüscher's approach, such systematic uncertainty is difficult to be evaluated and thus is not included in this work. A systematic uncertainty attributed to the quenched approximation, however, is not evaluated in both methods. In case of the potential method, the phase shift can be calculated for arbitrary energies below the inelastic threshold. The energy dependence of the phase shift is also obtained from Lüscher's method using different volumes and/or nonrest-frame extension of it. The results are found to agree well with the potential method.

Conductivity map from scanning tunneling potentiometry.

PubMed

Zhang, Hao; Li, Xianqi; Chen, Yunmei; Durand, Corentin; Li, An-Ping; Zhang, X-G

2016-08-01

We present a novel method for extracting two-dimensional (2D) conductivity profiles from large electrochemical potential datasets acquired by scanning tunneling potentiometry of a 2D conductor. The method consists of a data preprocessing procedure to reduce/eliminate noise and a numerical conductivity reconstruction. The preprocessing procedure employs an inverse consistent image registration method to align the forward and backward scans of the same line for each image line followed by a total variation (TV) based image restoration method to obtain a (nearly) noise-free potential from the aligned scans. The preprocessed potential is then used for numerical conductivity reconstruction, based on a TV model solved by accelerated alternating direction method of multiplier. The method is demonstrated on a measurement of the grain boundary of a monolayer graphene, yielding a nearly 10:1 ratio for the grain boundary resistivity over bulk resistivity.

Electrode Reactions Coupled with Chemical Reactions of Oxygen, Water and Acetaldehyde in an Ionic Liquid: New Approaches for Sensing Volatile Organic Compounds.

PubMed

Chi, Xiaowei; Tang, Yongan; Zeng, Xiangqun

2016-10-20

Water and oxygen are ubiquitous present in ambient conditions. This work studies the unique oxygen, trace water and a volatile organic compound (VOC) acetaldehyde redox chemistry in a hydrophobic and aprotic ionic liquid (IL), 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([Bmpy] [NTf 2 ]) by cyclic voltammetry and potential step methods. One electron oxygen reduction leads to superoxide radical formation in the IL. Trace water in the IL acts as a protic species that reacts with the superoxide radical. Acetaldehyde is a stronger protic species than water for reacting with the superoxide radical. The presence of trace water in the IL was also demonstrated to facilitate the electro-oxidation of acetaldehyde, with similar mechanism to that in the aqueous solutions. A multiple-step coupling reaction mechanism between water, superoxide radical and acetaldehyde has been described. The unique characteristics of redox chemistry of acetaldehyde in [Bmpy][NTf 2 ] in the presence of oxygen and trace water can be controlled by electrochemical potentials. By controlling the electrode potential windows, several methods including cyclic voltammetry, potential step methods (single-potential, double-potential and triple-potential step methods) were established for the quantification of acetaldehyde. Instead of treating water and oxygen as frustrating interferents to ILs, we found that oxygen and trace water chemistry in [Bmpy][NTf 2 ] can be utilized to develop innovative electrochemical methods for electroanalysis of acetaldehyde.

Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants

NASA Astrophysics Data System (ADS)

Hale, Lucas M.; Trautt, Zachary T.; Becker, Chandler A.

2018-07-01

Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different interatomic potentials produce different results, thus making it necessary to characterize potentials based on how they predict basic properties. Doing so makes it possible to compare existing interatomic models in order to select those best suited for specific use cases, and to identify any limitations of the models that may lead to unrealistic responses. While the methods for obtaining many of these properties are often thought of as simple calculations, there are many underlying aspects that can lead to variability in the reported property values. For instance, multiple methods may exist for computing the same property and values may be sensitive to certain simulation parameters. Here, we introduce a new high-throughput computational framework that encodes various simulation methodologies as Python calculation scripts. Three distinct methods for evaluating the lattice and elastic constants of bulk crystal structures are implemented and used to evaluate the properties across 120 interatomic potentials, 18 crystal prototypes, and all possible combinations of unique lattice site and elemental model pairings. Analysis of the results reveals which potentials and crystal prototypes are sensitive to the calculation methods and parameters, and it assists with the verification of potentials, methods, and molecular dynamics software. The results, calculation scripts, and computational infrastructure are self-contained and openly available to support researchers in performing meaningful simulations.

Electrode Reactions Coupled with Chemical Reactions of Oxygen, Water and Acetaldehyde in an Ionic Liquid: New Approaches for Sensing Volatile Organic Compounds

PubMed Central

Chi, Xiaowei; Tang, Yongan; Zeng, Xiangqun

2017-01-01

Water and oxygen are ubiquitous present in ambient conditions. This work studies the unique oxygen, trace water and a volatile organic compound (VOC) acetaldehyde redox chemistry in a hydrophobic and aprotic ionic liquid (IL), 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([Bmpy] [NTf2]) by cyclic voltammetry and potential step methods. One electron oxygen reduction leads to superoxide radical formation in the IL. Trace water in the IL acts as a protic species that reacts with the superoxide radical. Acetaldehyde is a stronger protic species than water for reacting with the superoxide radical. The presence of trace water in the IL was also demonstrated to facilitate the electro-oxidation of acetaldehyde, with similar mechanism to that in the aqueous solutions. A multiple-step coupling reaction mechanism between water, superoxide radical and acetaldehyde has been described. The unique characteristics of redox chemistry of acetaldehyde in [Bmpy][NTf2] in the presence of oxygen and trace water can be controlled by electrochemical potentials. By controlling the electrode potential windows, several methods including cyclic voltammetry, potential step methods (single-potential, double-potential and triple-potential step methods) were established for the quantification of acetaldehyde. Instead of treating water and oxygen as frustrating interferents to ILs, we found that oxygen and trace water chemistry in [Bmpy][NTf2] can be utilized to develop innovative electrochemical methods for electroanalysis of acetaldehyde. PMID:29142331

The use of spectral methods in bidomain studies.

PubMed

Trayanova, N; Pilkington, T

1992-01-01

A Fourier transform method is developed for solving the bidomain coupled differential equations governing the intracellular and extracellular potentials on a finite sheet of cardiac cells undergoing stimulation. The spectral formulation converts the system of differential equations into a "diagonal" system of algebraic equations. Solving the algebraic equations directly and taking the inverse transform of the potentials proved numerically less expensive than solving the coupled differential equations by means of traditional numerical techniques, such as finite differences; the comparison between the computer execution times showed that the Fourier transform method was about 40 times faster than the finite difference method. By application of the Fourier transform method, transmembrane potential distributions in the two-dimensional myocardial slice were calculated. For a tissue characterized by a ratio of the intra- to extracellular conductivities that is different in all principal directions, the transmembrane potential distribution exhibits a rather complicated geometrical pattern. The influence of the different anisotropy ratios, the finite tissue size, and the stimuli configuration on the pattern of membrane polarization is investigated.

Optical model potentials for 6He+64Zn from 63Cu(7Li,6He)64Zn reactions

NASA Astrophysics Data System (ADS)

Yang, L.; Lin, C. J.; Jia, H. M.; Wang, D. X.; Sun, L. J.; Ma, N. R.; Yang, F.; Wu, Z. D.; Xu, X. X.; Zhang, H. Q.; Liu, Z. H.; Bao, P. F.

2017-03-01

Angular distributions of the transfer reaction 63Cu(7Li,6He )64Zn were measured at Elab(7Li) =12.67 , 15.21, 16.33, 23.30, 27.30, and 30.96 MeV. With the interaction potentials of the entrance channel 7Li+63Cu obtained from elastic scattering data as input, the optical potentials of the halo nuclear system 6He+64Zn in the exit channel were extracted by fitting the experimental data with the distorted-wave Born approximation (DWBA) and coupled reaction channels (CRC) methods, respectively. The results show that the threshold anomaly presents in the weakly bound system of 7Li+63Cu and the dispersion relation can be adopted to describe the connection between the real and imaginary potentials, while both the real and imaginary potentials nearly keep constant within the researched energy region for the halo system of 6He+64Zn . Moreover, calculations by the potentials extracted from the CRC method can reproduce the experimental elastic scattering of the 6He+64Zn system rather well, but those by the potentials from the DWBA method cannot, where the couplings between 7Li and 6He are absent. This work verifies the validity of the transfer method in the medium-mass target region and lays a solid foundation for the further study of optical potentials for exotic nuclear systems.

Supersonic full-potential methods for missile body analysis

NASA Technical Reports Server (NTRS)

Pittman, James L.

1992-01-01

Accounts are presented of representative applications to missile bodies of arbitrary shape of methods based on the steady form of the full potential equation. The NCOREL and SIMP full-potential codes are compared, and their results are evaluated for the cases of an arrow wing and a wing-body configuration. Attention is given to the effect of cross-sectional and longitudinal geometries. Comparisons of surface pressure and longitudinal force and moment data for circular and elliptic bodies have shown that the full-potential methods yielded excellent results in attached-flow conditions. Results are presented for a conical star body, waveriders, the Shuttle Orbiter, and a highly swept wing-body cruising at Mach 4.

Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

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

Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru

We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understandmore » dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.« less

Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x) = Ax{sup 2α} + Bx{sup 2}

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

Al Sdran, N.; Najran University, Faculty of Sciences and Arts, Najran; Maiz, F., E-mail: fethimaiz@gmail.com

2016-06-15

The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x) = Ax{sup 2α} + Bx{sup 2}, (A>0, B<0), with (α = 2) for quadratic, (α =3) for sextic and (α =4) for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x) bymore » a piecewise-linear potential v(x), while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.« less

Solution of Dirac equation for Eckart potential and trigonometric Manning Rosen potential using asymptotic iteration method

NASA Astrophysics Data System (ADS)

Resita Arum, Sari; A, Suparmi; C, Cari

2016-01-01

The Dirac equation for Eckart potential and trigonometric Manning Rosen potential with exact spin symmetry is obtained using an asymptotic iteration method. The combination of the two potentials is substituted into the Dirac equation, then the variables are separated into radial and angular parts. The Dirac equation is solved by using an asymptotic iteration method that can reduce the second order differential equation into a differential equation with substitution variables of hypergeometry type. The relativistic energy is calculated using Matlab 2011. This study is limited to the case of spin symmetry. With the asymptotic iteration method, the energy spectra of the relativistic equations and equations of orbital quantum number l can be obtained, where both are interrelated between quantum numbers. The energy spectrum is also numerically solved using the Matlab software, where the increase in the radial quantum number nr causes the energy to decrease. The radial part and the angular part of the wave function are defined as hypergeometry functions and visualized with Matlab 2011. The results show that the disturbance of a combination of the Eckart potential and trigonometric Manning Rosen potential can change the radial part and the angular part of the wave function. Project supported by the Higher Education Project (Grant No. 698/UN27.11/PN/2015).

Comparison of optical vortex detection methods for use with a Shack-Hartmann wavefront sensor.

PubMed

Murphy, Kevin; Dainty, Chris

2012-02-27

In this paper we compare experimentally two methods of detecting optical vortices from Shack-Hartmann wavefront sensor (SHWFS) data, the vortex potential and the contour sum methods. The experimental setup uses a spatial light modulator (SLM) to generate turbulent fields with vortices. In the experiment, many fields are generated and detected by a SHWFS, and data is analysed by the two vortex detection methods. We conclude that the vortex potential method is more successful in locating vortices in these fields.

Optical potential from first principles

DOE PAGES

Rotureau, J.; Danielewicz, P.; Hagen, G.; ...

2017-02-15

Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16O. For the computation of the ground-state of 16O, we use the coupled-cluster method in the singles-and-doubles approximation, while for themore » A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.« less

Finite difference methods for the solution of unsteady potential flows

NASA Technical Reports Server (NTRS)

Caradonna, F. X.

1982-01-01

Various problems which are confronted in the development of an unsteady finite difference potential code are reviewed mainly in the context of what is done for a typical small disturbance and full potential method. The issues discussed include choice of equations, linearization and conservation, differencing schemes, and algorithm development. A number of applications, including unsteady three dimensional rotor calculations, are demonstrated.

Optimized Free Energies from Bidirectional Single-Molecule Force Spectroscopy

NASA Astrophysics Data System (ADS)

Minh, David D. L.; Adib, Artur B.

2008-05-01

An optimized method for estimating path-ensemble averages using data from processes driven in opposite directions is presented. Based on this estimator, bidirectional expressions for reconstructing free energies and potentials of mean force from single-molecule force spectroscopy—valid for biasing potentials of arbitrary stiffness—are developed. Numerical simulations on a model potential indicate that these methods perform better than unidirectional strategies.

Measurement of sheath potential by three emissive-probe methods in DC filament plasmas near a biased grid

NASA Astrophysics Data System (ADS)

Kang, In-Je; Park, In-Sun; Wackerbarth, Eugene; Bae, Min-Keun; Hershkowitz, Noah; Severn, Greg; Chung, Kyu-Sun

2017-10-01

Plasma potential structures are measured with an emissive probe near a negatively biased grid ( - 100 V , 80mm diam., 40 lines/cm) immersed in a hot filament DC discharge in Kr. Three different methods of analysis are compared: inflection point (IP), floating potential (FP) and separation point (SE) methods. The plasma device at the University of San Diego (length = 64 cm, diameter = 32 cm, source = filament DC discharge) was operated with 5 ×108

Modeling potential evapotranspiration of two forested watersheds in the southern Appalachians

Treesearch

L.Y. Rao; G. Sun; C.R. Ford; J.M. Vose

2011-01-01

Global climate change has direct impacts on watershed hydrology through altering evapotranspiration (ET) processes at multiple scales. There are many methods to estimate forest ET with models, but the most practical and the most popular one is the potential ET (PET) based method. However, the choice of PET methods for AET estimation remains challenging. This study...

GENERAL: Scattering Phase Correction for Semiclassical Quantization Rules in Multi-Dimensional Quantum Systems

NASA Astrophysics Data System (ADS)

Huang, Wen-Min; Mou, Chung-Yu; Chang, Cheng-Hung

2010-02-01

While the scattering phase for several one-dimensional potentials can be exactly derived, less is known in multi-dimensional quantum systems. This work provides a method to extend the one-dimensional phase knowledge to multi-dimensional quantization rules. The extension is illustrated in the example of Bogomolny's transfer operator method applied in two quantum wells bounded by step potentials of different heights. This generalized semiclassical method accurately determines the energy spectrum of the systems, which indicates the substantial role of the proposed phase correction. Theoretically, the result can be extended to other semiclassical methods, such as Gutzwiller trace formula, dynamical zeta functions, and semiclassical Landauer-Büttiker formula. In practice, this recipe enhances the applicability of semiclassical methods to multi-dimensional quantum systems bounded by general soft potentials.

On the use of the exact exchange optimized effective potential method for static response properties

NASA Astrophysics Data System (ADS)

Krykunov, Mykhaylo; Ziegler, Tom

In the present work, we question the notion that the modified Kohn-Sham orbital energies and smaller HOMO-LUMO gaps, produced from the exact exchange optimized effective potential (EXX-OEP) method, might significantly improve the paramagnetic contribution to the NMR chemical shifts compared with the regular Hartree-Fock (HF) scheme. First of all, it is shown analytically that if there is such a local potential that produces the HF energy, and the Kohn-Sham orbitals are obtained as a result of separate rotations of the occupied and virtual HF orbitals, any static magnetic property obtained from the coupled perturbed HF method will be identical to that obtained from the EXX-OEP approach. In fact the EXX-OEP method is equivalent to the improved virtual orbitals (IVO) scheme in which the energies of the virtual orbitals are modified by an effective potential. It is shown that the IVO procedure leaves static response properties unchanged. To test our analysis numerically we have employed several variants of the EXX-OEP method, based on the expansion of the local exchange potential into a linear combination of fit functions. The different EXX-OEP schemes have been used to calculate the NMR chemical shifts for a set of small molecules containing C, H, N, O, and F atoms. Comparison of the deviation between experimental and calculated chemical shifts from the HF, the EXX-OEP, and the common energy denominator approximation (CEDA) approximation to the EXX-OEP methods has shown that for carbon, hydrogen, and fluorine the EXX-OEP methods do not yield any improvement over the HF method. For nitrogen and oxygen we have found that the EXX-OEP performs better than the HF method. However, in the limit of infinite fit basis set and, as a consequence of it, a perfect fit of the HF potential the EXX-OEP and the HF methods would afford the same chemical shifts according to our theoretical analysis. Unfortunately, without a perfect fit the chemical shifts from the EXX-OEP method strongly depend on the fit convergence. In our opinion, the EXX-OEP method should not be used for response properties as it is numerically unstable. Thus, any apparent improvement of the EXX-OEP method over the HF scheme for a finite fit basis set must be considered spurious.

Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

PubMed

Wang, Bo; Yang, Ke R; Xu, Xuefei; Isegawa, Miho; Leverentz, Hannah R; Truhlar, Donald G

2014-09-16

Conspectus The development of more efficient and more accurate ways to represent reactive potential energy surfaces is a requirement for extending the simulation of large systems to more complex systems, longer-time dynamical processes, and more complete statistical mechanical sampling. One way to treat large systems is by direct dynamics fragment methods. Another way is by fitting system-specific analytic potential energy functions with methods adapted to large systems. Here we consider both approaches. First we consider three fragment methods that allow a given monomer to appear in more than one fragment. The first two approaches are the electrostatically embedded many-body (EE-MB) expansion and the electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), which we have shown to yield quite accurate results even when one restricts the calculations to include only electrostatically embedded dimers. The third fragment method is the electrostatically embedded molecular tailoring approach (EE-MTA), which is more flexible than EE-MB and EE-MB-CE. We show that electrostatic embedding greatly improves the accuracy of these approaches compared with the original unembedded approaches. Quantum mechanical fragment methods share with combined quantum mechanical/molecular mechanical (QM/MM) methods the need to treat a quantum mechanical fragment in the presence of the rest of the system, which is especially challenging for those parts of the rest of the system that are close to the boundary of the quantum mechanical fragment. This is a delicate matter even for fragments that are not covalently bonded to the rest of the system, but it becomes even more difficult when the boundary of the quantum mechanical fragment cuts a bond. We have developed a suite of methods for more realistically treating interactions across such boundaries. These methods include redistributing and balancing the external partial atomic charges and the use of tuned fluorine atoms for capping dangling bonds, and we have shown that they can greatly improve the accuracy. Finally we present a new approach that goes beyond QM/MM by combining the convenience of molecular mechanics with the accuracy of fitting a potential function to electronic structure calculations on a specific system. To make the latter practical for systems with a large number of degrees of freedom, we developed a method to interpolate between local internal-coordinate fits to the potential energy. A key issue for the application to large systems is that rather than assigning the atoms or monomers to fragments, we assign the internal coordinates to reaction, secondary, and tertiary sets. Thus, we make a partition in coordinate space rather than atom space. Fits to the local dependence of the potential energy on tertiary coordinates are arrayed along a preselected reaction coordinate at a sequence of geometries called anchor points; the potential energy function is called an anchor points reactive potential. Electrostatically embedded fragment methods and the anchor points reactive potential, because they are based on treating an entire system by quantum mechanical electronic structure methods but are affordable for large and complex systems, have the potential to open new areas for accurate simulations where combined QM/MM methods are inadequate.

A general method for constructing multidimensional molecular potential energy surfaces from {ital ab} {ital initio} calculations

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

Ho, T.; Rabitz, H.

1996-02-01

A general interpolation method for constructing smooth molecular potential energy surfaces (PES{close_quote}s) from {ital ab} {ital initio} data are proposed within the framework of the reproducing kernel Hilbert space and the inverse problem theory. The general expression for an {ital a} {ital posteriori} error bound of the constructed PES is derived. It is shown that the method yields globally smooth potential energy surfaces that are continuous and possess derivatives up to second order or higher. Moreover, the method is amenable to correct symmetry properties and asymptotic behavior of the molecular system. Finally, the method is generic and can be easilymore » extended from low dimensional problems involving two and three atoms to high dimensional problems involving four or more atoms. Basic properties of the method are illustrated by the construction of a one-dimensional potential energy curve of the He{endash}He van der Waals dimer using the exact quantum Monte Carlo calculations of Anderson {ital et} {ital al}. [J. Chem. Phys. {bold 99}, 345 (1993)], a two-dimensional potential energy surface of the HeCO van der Waals molecule using recent {ital ab} {ital initio} calculations by Tao {ital et} {ital al}. [J. Chem. Phys. {bold 101}, 8680 (1994)], and a three-dimensional potential energy surface of the H{sup +}{sub 3} molecular ion using highly accurate {ital ab} {ital initio} calculations of R{umlt o}hse {ital et} {ital al}. [J. Chem. Phys. {bold 101}, 2231 (1994)]. In the first two cases the constructed potentials clearly exhibit the correct asymptotic forms, while in the last case the constructed potential energy surface is in excellent agreement with that constructed by R{umlt o}hse {ital et} {ital al}. using a low order polynomial fitting procedure. {copyright} {ital 1996 American Institute of Physics.}« less

Configurational entropy: an improvement of the quasiharmonic approximation using configurational temperature.

PubMed

Nguyen, Phuong H; Derreumaux, Philippe

2012-01-14

One challenge in computational biophysics and biology is to develop methodologies able to estimate accurately the configurational entropy of macromolecules. Among many methods, the quasiharmonic approximation (QH) is most widely used as it is simple in both theory and implementation. However, it has been shown that this method becomes inaccurate by overestimating entropy for systems with rugged free energy landscapes. Here, we propose a simple method to improve the QH approximation, i.e., to reduce QH entropy. We approximate the potential energy landscape of the system by an effective harmonic potential, and request that this potential must produce exactly the configurational temperature of the system. Due to this constraint, the force constants associated with the effective harmonic potential are increased, or equivalently, entropy of motion governed by this effective harmonic potential is reduced. We also introduce the effective configurational temperature concept which can be used as an indicator to check the anharmonicity of the free energy landscape. To validate the new method we compare it with the recently developed expansion approximate method by calculating entropy of one simple model system and two peptides with 3 and 16 amino acids either in gas phase or in explicit solvent. We show that the new method appears to be a good choice in practice as it is a compromise between accuracy and computational speed. A modification of the expansion approximate method is also introduced and advantages are discussed in some detail.

Object detection and tracking system

DOEpatents

Ma, Tian J.

2017-05-30

Methods and apparatuses for analyzing a sequence of images for an object are disclosed herein. In a general embodiment, the method identifies a region of interest in the sequence of images. The object is likely to move within the region of interest. The method divides the region of interest in the sequence of images into sections and calculates signal-to-noise ratios for a section in the sections. A signal-to-noise ratio for the section is calculated using the section in the image, a prior section in a prior image to the image, and a subsequent section in a subsequent image to the image. The signal-to-noise ratios are for potential velocities of the object in the section. The method also selects a velocity from the potential velocities for the object in the section using a potential velocity in the potential velocities having a highest signal-to-noise ratio in the signal-to-noise ratios.

Method for discriminative particle selection

DOEpatents

Post, Richard F.

1992-01-01

The invention is a method and means for separating ions or providing an ion beam. The invention generates ions of the isotopes to be separated, and then provides a traveling electric potential hill created by a sequential series of quasi static electric potential hills. By regulating the velocity and potential amplitude of the traveling electric potential hill ionized isotopes are selectively positively or negatively accelerated. Since the ionized isotopes have differing final velocities, the isotopes may be collected separately or used to produce an ion beam of a selected isotope.

Predictions of thermal buckling strengths of hypersonic aircraft sandwich panels using minimum potential energy and finite element methods

NASA Technical Reports Server (NTRS)

Ko, William L.

1995-01-01

Thermal buckling characteristics of hypersonic aircraft sandwich panels of various aspect ratios were investigated. The panel is fastened at its four edges to the substructures under four different edge conditions and is subjected to uniform temperature loading. Minimum potential energy theory and finite element methods were used to calculate the panel buckling temperatures. The two methods gave fairly close buckling temperatures. However, the finite element method gave slightly lower buckling temperatures than those given by the minimum potential energy theory. The reasons for this slight discrepancy in eigensolutions are discussed in detail. In addition, the effect of eigenshifting on the eigenvalue convergence rate is discussed.

Structural issues affecting mixed methods studies in health research: a qualitative study.

PubMed

O'Cathain, Alicia; Nicholl, Jon; Murphy, Elizabeth

2009-12-09

Health researchers undertake studies which combine qualitative and quantitative methods. Little attention has been paid to the structural issues affecting this mixed methods approach. We explored the facilitators and barriers to undertaking mixed methods studies in health research. Face-to-face semi-structured interviews with 20 researchers experienced in mixed methods research in health in the United Kingdom. Structural facilitators for undertaking mixed methods studies included a perception that funding bodies promoted this approach, and the multidisciplinary constituency of some university departments. Structural barriers to exploiting the potential of these studies included a lack of education and training in mixed methods research, and a lack of templates for reporting mixed methods articles in peer-reviewed journals. The 'hierarchy of evidence' relating to effectiveness studies in health care research, with the randomised controlled trial as the gold standard, appeared to pervade the health research infrastructure. Thus integration of data and findings from qualitative and quantitative components of mixed methods studies, and dissemination of integrated outputs, tended to occur through serendipity and effort, further highlighting the presence of structural constraints. Researchers are agents who may also support current structures - journal reviewers and editors, and directors of postgraduate training courses - and thus have the ability to improve the structural support for exploiting the potential of mixed methods research. The environment for health research in the UK appears to be conducive to mixed methods research but not to exploiting the potential of this approach. Structural change, as well as change in researcher behaviour, will be necessary if researchers are to fully exploit the potential of using mixed methods research.

Clinical Trials Methods for Evaluation of Potential Reduced Exposure Products

PubMed Central

Hatsukami, Dorothy K.; Hanson, Karen; Briggs, Anna; Parascandola, Mark; Genkinger, Jeanine M.; O'Connor, Richard; Shields, Peter

2009-01-01

Potential reduced exposure tobacco products (PREPs) may have promise in reducing tobacco-related morbidity or mortality or may promote greater harm to individuals or the population. Critical to determining the risks or benefits from these products are valid human clinical trial PREP assessment methods. Assessment involves determining the effects of these products on biomarkers of exposure and of effect, which serve as proxies for harm, and assessing the potential for consumer uptake and abuse of the product. This article raises the critical methodological issues associated with PREP assessment, reviews the methods that have been used to assess PREPs, and describes the strengths and limitations of these methods. Additionally, recommendations for clinical trials PREP assessment methods and future research directions in this area based on this review and on the deliberations from a National Cancer Institute sponsored Clinical Trials PREP Methods Workshop are provided. PMID:19959672

Potential energy surface fitting by a statistically localized, permutationally invariant, local interpolating moving least squares method for the many-body potential: Method and application to N{sub 4}

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

Bender, Jason D.; Doraiswamy, Sriram; Candler, Graham V., E-mail: truhlar@umn.edu, E-mail: candler@aem.umn.edu

2014-02-07

Fitting potential energy surfaces to analytic forms is an important first step for efficient molecular dynamics simulations. Here, we present an improved version of the local interpolating moving least squares method (L-IMLS) for such fitting. Our method has three key improvements. First, pairwise interactions are modeled separately from many-body interactions. Second, permutational invariance is incorporated in the basis functions, using permutationally invariant polynomials in Morse variables, and in the weight functions. Third, computational cost is reduced by statistical localization, in which we statistically correlate the cutoff radius with data point density. We motivate our discussion in this paper with amore » review of global and local least-squares-based fitting methods in one dimension. Then, we develop our method in six dimensions, and we note that it allows the analytic evaluation of gradients, a feature that is important for molecular dynamics. The approach, which we call statistically localized, permutationally invariant, local interpolating moving least squares fitting of the many-body potential (SL-PI-L-IMLS-MP, or, more simply, L-IMLS-G2), is used to fit a potential energy surface to an electronic structure dataset for N{sub 4}. We discuss its performance on the dataset and give directions for further research, including applications to trajectory calculations.« less

A theoretical treatment of technical risk in modern propulsion system design

NASA Astrophysics Data System (ADS)

Roth, Bryce Alexander

2000-09-01

A prevalent trend in modern aerospace systems is increasing complexity and cost, which in turn drives increased risk. Consequently, there is a clear and present need for the development of formalized methods to analyze the impact of risk on the design of aerospace vehicles. The objective of this work is to develop such a method that enables analysis of risk via a consistent, comprehensive treatment of aerothermodynamic and mass properties aspects of vehicle design. The key elements enabling the creation of this methodology are recent developments in the analytical estimation of work potential based on the second law of thermodynamics. This dissertation develops the theoretical foundation of a vehicle analysis method based on work potential and validates it using the Northrop F-5E with GE J85-GE-21 engines as a case study. Although the method is broadly applicable, emphasis is given to aircraft propulsion applications. Three work potential figures of merit are applied using this method: exergy, available energy, and thrust work potential. It is shown that each possesses unique properties making them useful for specific vehicle analysis tasks, though the latter two are actually special cases of exergy. All three are demonstrated on the analysis of the J85-GE-21 propulsion system, resulting in a comprehensive description of propulsion system thermodynamic loss. This "loss management" method is used to analyze aerodynamic drag loss of the F-5E and is then used in conjunction with the propulsive loss model to analyze the usage of fuel work potential throughout the F-5E design mission. The results clearly show how and where work potential is used during flight and yield considerable insight as to where the greatest opportunity for design improvement is. Next, usage of work potential is translated into fuel weight so that the aerothermodynamic performance of the F-5E can be expressed entirely in terms of vehicle gross weight. This technique is then applied as a means to quantify the impact of engine cycle technologies on the F-5E airframe. Finally, loss management methods are used in conjunction with probabilistic analysis methods to quantify the impact of risk on F-5E aerothermodynamic performance.

Accelerating atomistic simulations through self-learning bond-boost hyperdynamics

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

Perez, Danny; Voter, Arthur F

2008-01-01

By altering the potential energy landscape on which molecular dynamics are carried out, the hyperdynamics method of Voter enables one to significantly accelerate the simulation state-to-state dynamics of physical systems. While very powerful, successful application of the method entails solving the subtle problem of the parametrization of the so-called bias potential. In this study, we first clarify the constraints that must be obeyed by the bias potential and demonstrate that fast sampling of the biased landscape is key to the obtention of proper kinetics. We then propose an approach by which the bond boost potential of Miron and Fichthorn canmore » be safely parametrized based on data acquired in the course of a molecular dynamics simulation. Finally, we introduce a procedure, the Self-Learning Bond Boost method, in which the parametrization is step efficiently carried out on-the-fly for each new state that is visited during the simulation by safely ramping up the strength of the bias potential up to its optimal value. The stability and accuracy of the method are demonstrated.« less

A method for locating potential tree-planting sites in urban areas: a case study of Los Angeles, USA

Treesearch

Chunxia Wua; Qingfu Xiaoa; Gregory E. McPherson

2008-01-01

A GIS-based method for locating potential tree-planting sites based on land cover data is introduced. Criteria were developed to identify locations that are spatially available for potential tree planting based on land cover, sufficient distance from impervious surfaces, a minimum amount of pervious surface, and no crown overlap with other trees. In an ArcGIS...

A mixed method Poisson solver for three-dimensional self-gravitating astrophysical fluid dynamical systems

NASA Technical Reports Server (NTRS)

Duncan, Comer; Jones, Jim

1993-01-01

A key ingredient in the simulation of self-gravitating astrophysical fluid dynamical systems is the gravitational potential and its gradient. This paper focuses on the development of a mixed method multigrid solver of the Poisson equation formulated so that both the potential and the Cartesian components of its gradient are self-consistently and accurately generated. The method achieves this goal by formulating the problem as a system of four equations for the gravitational potential and the three Cartesian components of the gradient and solves them using a distributed relaxation technique combined with conventional full multigrid V-cycles. The method is described, some tests are presented, and the accuracy of the method is assessed. We also describe how the method has been incorporated into our three-dimensional hydrodynamics code and give an example of an application to the collision of two stars. We end with some remarks about the future developments of the method and some of the applications in which it will be used in astrophysics.

Numerical computation of gravitational field for general axisymmetric objects

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

2016-10-01

We developed a numerical method to compute the gravitational field of a general axisymmetric object. The method (I) numerically evaluates a double integral of the ring potential by the split quadrature method using the double exponential rules, and (II) derives the acceleration vector by numerically differentiating the numerically integrated potential by Ridder's algorithm. Numerical comparison with the analytical solutions for a finite uniform spheroid and an infinitely extended object of the Miyamoto-Nagai density distribution confirmed the 13- and 11-digit accuracy of the potential and the acceleration vector computed by the method, respectively. By using the method, we present the gravitational potential contour map and/or the rotation curve of various axisymmetric objects: (I) finite uniform objects covering rhombic spindles and circular toroids, (II) infinitely extended spheroids including Sérsic and Navarro-Frenk-White spheroids, and (III) other axisymmetric objects such as an X/peanut-shaped object like NGC 128, a power-law disc with a central hole like the protoplanetary disc of TW Hya, and a tear-drop-shaped toroid like an axisymmetric equilibrium solution of plasma charge distribution in an International Thermonuclear Experimental Reactor-like tokamak. The method is directly applicable to the electrostatic field and will be easily extended for the magnetostatic field. The FORTRAN 90 programs of the new method and some test results are electronically available.

Drawing on Creative Reflective Practices in Counselling Research: An Example of Using Mental Imagery to Shed Light on the Research Process

ERIC Educational Resources Information Center

Thomas, Val

2014-01-01

The disciplines of counselling and psychotherapy have generated a range of innovative qualitative research methods. There is the potential for further developments, particularly in relation to methods that reveal how the researcher is implicated in the research. Practitioner-researchers could help to identify potential new methods through a…

An improved reaction path optimization method using a chain of conformations

NASA Astrophysics Data System (ADS)

Asada, Toshio; Sawada, Nozomi; Nishikawa, Takuya; Koseki, Shiro

2018-05-01

The efficient fast path optimization (FPO) method is proposed to optimize the reaction paths on energy surfaces by using chains of conformations. No artificial spring force is used in the FPO method to ensure the equal spacing of adjacent conformations. The FPO method is applied to optimize the reaction path on two model potential surfaces. The use of this method enabled the optimization of the reaction paths with a drastically reduced number of optimization cycles for both potentials. It was also successfully utilized to define the MEP of the isomerization of the glycine molecule in water by FPO method.

A novel risk assessment method for landfill slope failure: Case study application for Bhalswa Dumpsite, India.

PubMed

Jahanfar, Ali; Amirmojahedi, Mohsen; Gharabaghi, Bahram; Dubey, Brajesh; McBean, Edward; Kumar, Dinesh

2017-03-01

Rapid population growth of major urban centres in many developing countries has created massive landfills with extraordinary heights and steep side-slopes, which are frequently surrounded by illegal low-income residential settlements developed too close to landfills. These extraordinary landfills are facing high risks of catastrophic failure with potentially large numbers of fatalities. This study presents a novel method for risk assessment of landfill slope failure, using probabilistic analysis of potential failure scenarios and associated fatalities. The conceptual framework of the method includes selecting appropriate statistical distributions for the municipal solid waste (MSW) material shear strength and rheological properties for potential failure scenario analysis. The MSW material properties for a given scenario is then used to analyse the probability of slope failure and the resulting run-out length to calculate the potential risk of fatalities. In comparison with existing methods, which are solely based on the probability of slope failure, this method provides a more accurate estimate of the risk of fatalities associated with a given landfill slope failure. The application of the new risk assessment method is demonstrated with a case study for a landfill located within a heavily populated area of New Delhi, India.

Structural issues affecting mixed methods studies in health research: a qualitative study

PubMed Central

2009-01-01

Background Health researchers undertake studies which combine qualitative and quantitative methods. Little attention has been paid to the structural issues affecting this mixed methods approach. We explored the facilitators and barriers to undertaking mixed methods studies in health research. Methods Face-to-face semi-structured interviews with 20 researchers experienced in mixed methods research in health in the United Kingdom. Results Structural facilitators for undertaking mixed methods studies included a perception that funding bodies promoted this approach, and the multidisciplinary constituency of some university departments. Structural barriers to exploiting the potential of these studies included a lack of education and training in mixed methods research, and a lack of templates for reporting mixed methods articles in peer-reviewed journals. The 'hierarchy of evidence' relating to effectiveness studies in health care research, with the randomised controlled trial as the gold standard, appeared to pervade the health research infrastructure. Thus integration of data and findings from qualitative and quantitative components of mixed methods studies, and dissemination of integrated outputs, tended to occur through serendipity and effort, further highlighting the presence of structural constraints. Researchers are agents who may also support current structures - journal reviewers and editors, and directors of postgraduate training courses - and thus have the ability to improve the structural support for exploiting the potential of mixed methods research. Conclusion The environment for health research in the UK appears to be conducive to mixed methods research but not to exploiting the potential of this approach. Structural change, as well as change in researcher behaviour, will be necessary if researchers are to fully exploit the potential of using mixed methods research. PMID:20003210

Simulation of electric double-layer capacitors: evaluation of constant potential method

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Laird, Brian; Yang, Yang; Olmsted, David; Asta, Mark

2014-03-01

Atomistic simulations can play an important role in understanding electric double-layer capacitors (EDLCs) at a molecular level. In such simulations, typically the electrode surface is modeled using fixed surface charges, which ignores the charge fluctuation induced by local fluctuations in the electrolyte solution. In this work we evaluate an explicit treatment of charges, namely constant potential method (CPM)[1], in which the electrode charges are dynamically updated to maintain constant electrode potential. We employ a model system with a graphite electrode and a LiClO4/acetonitrile electrolyte, examined as a function of electrode potential differences. Using various molecular and macroscopic properties as metrics, we compare CPM simulations on this system to results using fixed surface charges. Specifically, results for predicted capacity, electric potential gradient and solvent density profile are identical between the two methods; However, ion density profiles and solvation structure yield significantly different results.

On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges.

PubMed

Marques, J M C; Pais, A A C C; Abreu, P E

2012-02-05

The efficiency of the so-called big-bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges; here, we have used Morse potentials with four different ranges, from long- ρ = 3) to short-ranged ρ = 14) interactions. Specifically, we study the efficacy of the method in discovering low-energy structures, including the putative global minimum, as a function of the potential range and the cluster size. A new global minimum structure for long-ranged ρ = 3) Morse potential at the cluster size of n= 240 is reported. The present results are useful to assess the maximum cluster size for each type of interaction where the global minimum can be discovered with a limited number of big-bang trials. Copyright © 2011 Wiley Periodicals, Inc.

Assessment of geothermal energy potential by geophysical methods: Nevşehir Region, Central Anatolia

NASA Astrophysics Data System (ADS)

Kıyak, Alper; Karavul, Can; Gülen, Levent; Pekşen, Ertan; Kılıç, A. Rıza

2015-03-01

In this study, geothermal potential of the Nevşehir region (Central Anatolia) was assessed by using vertical electrical sounding (VES), self-potential (SP), magnetotelluric (MT), gravity and gravity 3D Euler deconvolution structure analysis methods. Extensive volcanic activity occurred in this region from Upper Miocene to Holocene time. Due to the young volcanic activity Nevşehir region can be viewed as a potential geothermal area. We collected data from 54 VES points along 5 profiles, from 28 MT measurement points along 2 profiles (at frequency range between 320 and 0.0001 Hz), and from 4 SP profiles (total 19 km long). The obtained results based on different geophysical methods are consistent with each other. Joint interpretation of all geological and geophysical data suggests that this region has geothermal potential and an exploration well validated this assessment beyond doubt.

Estimation of Leakage Potential of Selected Sites in Interstate and Tri-State Canals Using Geostatistical Analysis of Selected Capacitively Coupled Resistivity Profiles, Western Nebraska, 2004

USGS Publications Warehouse

Vrabel, Joseph; Teeple, Andrew; Kress, Wade H.

2009-01-01

With increasing demands for reliable water supplies and availability estimates, groundwater flow models often are developed to enhance understanding of surface-water and groundwater systems. Specific hydraulic variables must be known or calibrated for the groundwater-flow model to accurately simulate current or future conditions. Surface geophysical surveys, along with selected test-hole information, can provide an integrated framework for quantifying hydrogeologic conditions within a defined area. In 2004, the U.S. Geological Survey, in cooperation with the North Platte Natural Resources District, performed a surface geophysical survey using a capacitively coupled resistivity technique to map the lithology within the top 8 meters of the near-surface for 110 kilometers of the Interstate and Tri-State Canals in western Nebraska and eastern Wyoming. Assuming that leakage between the surface-water and groundwater systems is affected primarily by the sediment directly underlying the canal bed, leakage potential was estimated from the simple vertical mean of inverse-model resistivity values for depth levels with geometrically increasing layer thickness with depth which resulted in mean-resistivity values biased towards the surface. This method generally produced reliable results, but an improved analysis method was needed to account for situations where confining units, composed of less permeable material, underlie units with greater permeability. In this report, prepared by the U.S. Geological Survey in cooperation with the North Platte Natural Resources District, the authors use geostatistical analysis to develop the minimum-unadjusted method to compute a relative leakage potential based on the minimum resistivity value in a vertical column of the resistivity model. The minimum-unadjusted method considers the effects of homogeneous confining units. The minimum-adjusted method also is developed to incorporate the effect of local lithologic heterogeneity on water transmission. Seven sites with differing geologic contexts were selected following review of the capacitively coupled resistivity data collected in 2004. A reevaluation of these sites using the mean, minimum-unadjusted, and minimum-adjusted methods was performed to compare the different approaches for estimating leakage potential. Five of the seven sites contained underlying confining units, for which the minimum-unadjusted and minimum-adjusted methods accounted for the confining-unit effect. Estimates of overall leakage potential were lower for the minimum-unadjusted and minimum-adjusted methods than those estimated by the mean method. For most sites, the local heterogeneity adjustment procedure of the minimum-adjusted method resulted in slightly larger overall leakage-potential estimates. In contrast to the mean method, the two minimum-based methods allowed the least permeable areas to control the overall vertical permeability of the subsurface. The minimum-adjusted method refined leakage-potential estimation by additionally including local lithologic heterogeneity effects.

Potential Landslide Early Detection Near Wenchuan by a Qualitatively Multi-Baseline Dinsar Method

NASA Astrophysics Data System (ADS)

Dai, K.; Chen, G.; Xu, Q.; Li, Z.; Qu, T.; Hu, L.; Lu, H.

2018-04-01

Early detection of landslides is important for disaster prevention, which was still very hard work with traditional surveying methods. Interferometric Synthetic Aperture Radar (InSAR) technology provided us the ability to monitor displacements along the slope with wide coverage and high accuracy. In this paper, we proposed a qualitatively multi-baseline DInSAR method to early detect and map the potential landslides. Two sections of China National Highway 317 and 213 were selected as study area. With this method 10 potential landslide areas were early detected and mapped in a quick and effective way. One of them (i.e. Shidaguan landslide) collapsed on August 2017, which was coincident with our results, suggesting that this method could become an effective way to acquire the landslide early detection map to assist the future disaster prevention work.

Evaluating the economic benefits of nonmotorized transportation : case studies and methods for the nonmotorized transportation pilot program communities.

DOT National Transportation Integrated Search

2015-03-01

This report examines potential methods for evaluating the economic benefits from nonmotorized transportation investments. The variety of potential economic benefits of bicycle and pedestrian infrastructure and programming investments discussed includ...

Novel quantitative methods for characterization of chemical induced functional alteration in developing neuronal cultures

EPA Science Inventory

ABSTRACT BODY: Thousands of chemicals lack adequate testing for adverse effects on nervous system development, stimulating research into alternative methods to screen chemicals for potential developmental neurotoxicity. Microelectrode arrays (MEA) collect action potential spiking...

Vibrational properties of TaW alloy using modified embedded atom method potential

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

Chand, Manesh, E-mail: maneshchand@gmail.com; Uniyal, Shweta; Joshi, Subodh

2016-05-06

Force-constants up to second neighbours of pure transition metal Ta and TaW alloy are determined using the modified embedded atom method (MEAM) potential. The obtained force-constants are used to calculate the phonon dispersion of pure Ta and TaW alloy. As a further application of MEAM potential, the force-constants are used to calculate the local vibrational density of states and mean square thermal displacements of pure Ta and W impurity atoms with Green’s function method. The calculated results are found to be in agreement with the experimental measurements.

Estimating soil matric potential in Owens Valley, California

USGS Publications Warehouse

Sorenson, Stephen K.; Miller, R.F.; Welch, M.R.; Groeneveld, D.P.; Branson, F.A.

1988-01-01

Much of the floor of the Owens Valley, California, is covered with alkaline scrub and alkaline meadow plant communities, whose existence is dependent partly on precipitation and partly on water infiltrated into the rooting zone from the shallow water table. The extent to which these plant communities are capable of adapting to and surviving fluctuations in the water table depends on physiological adaptations of the plants and on the water content, matric potential characteristics of the soils. Two methods were used to estimate soil matric potential in test sites in Owens Valley. The first was the filter-paper method, which uses water content of filter papers equilibrated to water content of soil samples taken with a hand auger. The other method of estimating soil matric potential was a modeling approach based on data from this and previous investigations. These data indicate that the base 10 logarithm of soil matric potential is a linear function of gravimetric soil water content for a particular soil. Estimates of soil water characteristic curves were made at two sites by averaging the gravimetric soil water content and soil matric potential values from multiple samples at 0.1 m depths derived by using the hand auger and filter paper method and entering these values in the soil water model. The characteristic curves then were used to estimate soil matric potential from estimates of volumetric soil water content derived from neutron-probe readings. Evaluation of the modeling technique at two study sites indicated that estimates of soil matric potential within 0.5 pF units of the soil matric potential value derived by using the filter paper method could be obtained 90 to 95% of the time in soils where water content was less than field capacity. The greatest errors occurred at depths where there was a distinct transition between soils of different textures. (Lantz-PTT)

Finite elements and finite differences for transonic flow calculations

NASA Technical Reports Server (NTRS)

Hafez, M. M.; Murman, E. M.; Wellford, L. C.

1978-01-01

The paper reviews the chief finite difference and finite element techniques used for numerical solution of nonlinear mixed elliptic-hyperbolic equations governing transonic flow. The forms of the governing equations for unsteady two-dimensional transonic flow considered are the Euler equation, the full potential equation in both conservative and nonconservative form, the transonic small-disturbance equation in both conservative and nonconservative form, and the hodograph equations for the small-disturbance case and the full-potential case. Finite difference methods considered include time-dependent methods, relaxation methods, semidirect methods, and hybrid methods. Finite element methods include finite element Lax-Wendroff schemes, implicit Galerkin method, mixed variational principles, dual iterative procedures, optimal control methods and least squares.

Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks

NASA Astrophysics Data System (ADS)

Raff, L. M.; Malshe, M.; Hagan, M.; Doughan, D. I.; Rockley, M. G.; Komanduri, R.

2005-02-01

A neural network/trajectory approach is presented for the development of accurate potential-energy hypersurfaces that can be utilized to conduct ab initio molecular dynamics (AIMD) and Monte Carlo studies of gas-phase chemical reactions, nanometric cutting, and nanotribology, and of a variety of mechanical properties of importance in potential microelectromechanical systems applications. The method is sufficiently robust that it can be applied to a wide range of polyatomic systems. The overall method integrates ab initio electronic structure calculations with importance sampling techniques that permit the critical regions of configuration space to be determined. The computed ab initio energies and gradients are then accurately interpolated using neural networks (NN) rather than arbitrary parametrized analytical functional forms, moving interpolation or least-squares methods. The sampling method involves a tight integration of molecular dynamics calculations with neural networks that employ early stopping and regularization procedures to improve network performance and test for convergence. The procedure can be initiated using an empirical potential surface or direct dynamics. The accuracy and interpolation power of the method has been tested for two cases, the global potential surface for vinyl bromide undergoing unimolecular decomposition via four different reaction channels and nanometric cutting of silicon. The results show that the sampling methods permit the important regions of configuration space to be easily and rapidly identified, that convergence of the NN fit to the ab initio electronic structure database can be easily monitored, and that the interpolation accuracy of the NN fits is excellent, even for systems involving five atoms or more. The method permits a substantial computational speed and accuracy advantage over existing methods, is robust, and relatively easy to implement.

N,N-Dimethyl-p-phenylenediamine dihydrochloride-based method for the measurement of plasma oxidative capacity during human aging.

PubMed

Mehdi, Mohammad Murtaza; Rizvi, Syed Ibrahim

2013-05-15

N,N-Dimethyl-p-phenylenediamine dihydrochloride (DMPD) is a compound that is normally used to measure the antioxidant potential. In the presence of Fe(3+), it gets converted to DMPD(∙+) radical, which is scavenged by antioxidant molecules present in test samples. In plasma, due to the presence of iron, this method cannot be applied for the measurement of antioxidant potential. The modified DMPD method proposed by us measures with great accuracy the oxidant potential of plasma using the oxidizing effect of plasma to oxidize DMPD into producing a stable pink color. The method is fast and reproducible. We show that plasma oxidative capacity increases significantly during human aging. Copyright © 2013 Elsevier Inc. All rights reserved.

Comparison of interpretation methods of thermocouple psychrometer readouts

NASA Astrophysics Data System (ADS)

Guz, Łukasz; Majerek, Dariusz; Sobczuk, Henryk; Guz, Ewa; Połednik, Bernard

2017-07-01

Thermocouple psychrometers allow to determine the water potential, which can be easily recalculated into relative humidity of air in cavity of porous materials. The available typical measuring range of probe is very narrow. The lower limit of water potential measurements is about -200 kPa. On the other hand, the upper limit is approximately equal to -7000 kPa and depends on many factors. These paper presents a comparison of two interpretation methods of thermocouple microvolt output regarding: i) amplitude of voltage during wet-bulb temperature depression, ii) field under microvolt output curve. Previous results of experiments indicate that there is a robust correlation between water potential and field under microvolt output curve. In order to obtain correct results of water potential, each probe should be calibrated. The range of NaCl salt solutions with molality from 0.75M to 2.25M was used for calibration, which enable to obtain the osmotic potential from -3377 kPa to -10865 kPa. During measurements was applied 5mA heating current over a span 5 s and 5 mA cooling current aver a span 30s. The conducted study proves that using only different interpretation method based on field under microvolt output it is possible to achieve about 1000 kPa wider range of water potential. The average relative mean square error (RMSE) of this interpretation method is 1199 kPa while voltage amplitude based method yields average RMSE equaling 1378 kPa during calibration in temperature not stabilized conditions.

Real-time obstacle avoidance using harmonic potential functions

NASA Technical Reports Server (NTRS)

Kim, Jin-Oh; Khosla, Pradeep K.

1992-01-01

This paper presents a new formulation of the artificial potential approach to the obstacle avoidance problem for a mobile robot or a manipulator in a known environment. Previous formulations of artificial potentials for obstacle avoidance have exhibited local minima in a cluttered environment. To build an artificial potential field, harmonic functions that completely eliminate local minima even for a cluttered environment are used. The panel method is employed to represent arbitrarily shaped obstacles and to derive the potential over the whole space. Based on this potential function, an elegant control strategy is proposed for the real-time control of a robot. The harmonic potential, the panel method, and the control strategy are tested with a bar-shaped mobile robot and a three-degree-of-freedom planar redundant manipulator.

Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange

NASA Astrophysics Data System (ADS)

Ryabinkin, Ilya G.; Kananenka, Alexei A.; Staroverov, Viktor N.

2013-07-01

We devise an efficient practical method for computing the Kohn-Sham exchange-correlation potential corresponding to a Hartree-Fock electron density. This potential is almost indistinguishable from the exact-exchange optimized effective potential (OEP) and, when used as an approximation to the OEP, is vastly better than all existing models. Using our method one can obtain unambiguous, nearly exact OEPs for any reasonable finite one-electron basis set at the same low cost as the Krieger-Li-Iafrate and Becke-Johnson potentials. For all practical purposes, this solves the long-standing problem of black-box construction of OEPs in exact-exchange calculations.

Active invisibility cloaks in one dimension

NASA Astrophysics Data System (ADS)

Mostafazadeh, Ali

2015-06-01

We outline a general method of constructing finite-range cloaking potentials which render a given finite-range real or complex potential, v (x ) , unidirectionally reflectionless or invisible at a wave number, k0, of our choice. We give explicit analytic expressions for three classes of cloaking potentials which achieve this goal while preserving some or all of the other scattering properties of v (x ) . The cloaking potentials we construct are the sum of up to three constituent unidirectionally invisible potentials. We discuss their utility in making v (x ) bidirectionally invisible at k0 and demonstrate the application of our method to obtain antireflection and invisibility cloaks for a Bragg reflector.

Finite difference methods for the solution of unsteady potential flows

NASA Technical Reports Server (NTRS)

Caradonna, F. X.

1985-01-01

A brief review is presented of various problems which are confronted in the development of an unsteady finite difference potential code. This review is conducted mainly in the context of what is done for a typical small disturbance and full potential methods. The issues discussed include choice of equation, linearization and conservation, differencing schemes, and algorithm development. A number of applications including unsteady three-dimensional rotor calculation, are demonstrated.

Quantitative method of measuring cancer cell urokinase and metastatic potential

NASA Technical Reports Server (NTRS)

Morrison, Dennis R. (Inventor)

1993-01-01

The metastatic potential of tumors can be evaluated by the quantitative detection of urokinase and DNA. The cell sample selected for examination is analyzed for the presence of high levels of urokinase and abnormal DNA using analytical flow cytometry and digital image analysis. Other factors such as membrane associated urokinase, increased DNA synthesis rates and certain receptors can be used in the method for detection of potentially invasive tumors.