Health Information–Seeking Patterns of the General Public and Indications for Disease Surveillance: Register-Based Study Using Lyme Disease

PubMed Central

Virtanen, Mikko J; Sane, Jussi; Mustonen, Pekka; Kaila, Minna; Helve, Otto

2017-01-01

Background People using the Internet to find information on health issues, such as specific diseases, usually start their search from a general search engine, for example, Google. Internet searches such as these may yield results and data of questionable quality and reliability. Health Library is a free-of-charge medical portal on the Internet providing medical information for the general public. Physician’s Databases, an Internet evidence-based medicine source, provides medical information for health care professionals (HCPs) to support their clinical practice. Both databases are available throughout Finland, but the latter is used only by health professionals and pharmacies. Little is known about how the general public seeks medical information from medical sources on the Internet, how this behavior differs from HCPs’ queries, and what causes possible differences in behavior. Objective The aim of our study was to evaluate how the general public’s and HCPs’ information-seeking trends from Internet medical databases differ seasonally and temporally. In addition, we aimed to evaluate whether the general public’s information-seeking trends could be utilized for disease surveillance and whether media coverage could affect these seeking trends. Methods Lyme disease, serving as a well-defined disease model with distinct seasonal variation, was chosen as a case study. Two Internet medical databases, Health Library and Physician’s Databases, were used. We compared the general public’s article openings on Lyme disease from Health Library to HCPs’ article openings on Lyme disease from Physician’s Databases seasonally across Finland from 2011 to 2015. Additionally, media publications related to Lyme disease were searched from the largest and most popular media websites in Finland. Results Both databases, Health Library and Physician’s Databases, show visually similar patterns in temporal variations of article openings on Lyme disease in Finland from 2011 to 2015. However, Health Library openings show not only an increasing trend over time but also greater fluctuations, especially during peak opening seasons. Outside these seasons, publications in the media coincide with Health Library article openings only occasionally. Conclusions Lyme disease–related information-seeking behaviors between the general public and HCPs from Internet medical portals share similar temporal variations, which is consistent with the trend seen in epidemiological data. Therefore, the general public’s article openings could be used as a supplementary source of information for disease surveillance. The fluctuations in article openings appeared stronger among the general public, thus, suggesting that different factors such as media coverage, affect the information-seeking behaviors of the public versus professionals. However, media coverage may also have an influence on HCPs. Not every publication was associated with an increase in openings, but the higher the media coverage by some publications, the higher the general public’s access to Health Library. PMID:29109071

Cordova: web-based management of genetic variation data.

PubMed

Ephraim, Sean S; Anand, Nikhil; DeLuca, Adam P; Taylor, Kyle R; Kolbe, Diana L; Simpson, Allen C; Azaiez, Hela; Sloan, Christina M; Shearer, A Eliot; Hallier, Andrea R; Casavant, Thomas L; Scheetz, Todd E; Smith, Richard J H; Braun, Terry A

2014-12-01

Cordova is an out-of-the-box solution for building and maintaining an online database of genetic variations integrated with pathogenicity prediction results from popular algorithms. Our primary motivation for developing this system is to aid researchers and clinician-scientists in determining the clinical significance of genetic variations. To achieve this goal, Cordova provides an interface to review and manually or computationally curate genetic variation data as well as share it for clinical diagnostics and the advancement of research. Cordova is open source under the MIT license and is freely available for download at https://github.com/clcg/cordova. Published by Oxford University Press. This work is written by US Government employees and is in the public domain in the US.

Landscape controls on total and methyl Hg in the Upper Hudson River basin, New York, USA

USGS Publications Warehouse

Burns, Douglas A.; Riva-Murray, K.; Bradley, P.M.; Aiken, G.R.; Brigham, M.E.

2012-01-01

Approaches are needed to better predict spatial variation in riverine Hg concentrations across heterogeneous landscapes that include mountains, wetlands, and open waters. We applied multivariate linear regression to determine the landscape factors and chemical variables that best account for the spatial variation of total Hg (THg) and methyl Hg (MeHg) concentrations in 27 sub-basins across the 493 km2 upper Hudson River basin in the Adirondack Mountains of New York. THg concentrations varied by sixfold, and those of MeHg by 40-fold in synoptic samples collected at low-to-moderate flow, during spring and summer of 2006 and 2008. Bivariate linear regression relations of THg and MeHg concentrations with either percent wetland area or DOC concentrations were significant but could account for only about 1/3 of the variation in these Hg forms in summer. In contrast, multivariate linear regression relations that included metrics of (1) hydrogeomorphology, (2) riparian/wetland area, and (3) open water, explained about 66% to >90% of spatial variation in each Hg form in spring and summer samples. These metrics reflect the influence of basin morphometry and riparian soils on Hg source and transport, and the role of open water as a Hg sink. Multivariate models based solely on these landscape metrics generally accounted for as much or more of the variation in Hg concentrations than models based on chemical and physical metrics, and show great promise for identifying waters with expected high Hg concentrations in the Adirondack region and similar glaciated riverine ecosystems.

Bayesian models for comparative analysis integrating phylogenetic uncertainty.

PubMed

de Villemereuil, Pierre; Wells, Jessie A; Edwards, Robert D; Blomberg, Simon P

2012-06-28

Uncertainty in comparative analyses can come from at least two sources: a) phylogenetic uncertainty in the tree topology or branch lengths, and b) uncertainty due to intraspecific variation in trait values, either due to measurement error or natural individual variation. Most phylogenetic comparative methods do not account for such uncertainties. Not accounting for these sources of uncertainty leads to false perceptions of precision (confidence intervals will be too narrow) and inflated significance in hypothesis testing (e.g. p-values will be too small). Although there is some application-specific software for fitting Bayesian models accounting for phylogenetic error, more general and flexible software is desirable. We developed models to directly incorporate phylogenetic uncertainty into a range of analyses that biologists commonly perform, using a Bayesian framework and Markov Chain Monte Carlo analyses. We demonstrate applications in linear regression, quantification of phylogenetic signal, and measurement error models. Phylogenetic uncertainty was incorporated by applying a prior distribution for the phylogeny, where this distribution consisted of the posterior tree sets from Bayesian phylogenetic tree estimation programs. The models were analysed using simulated data sets, and applied to a real data set on plant traits, from rainforest plant species in Northern Australia. Analyses were performed using the free and open source software OpenBUGS and JAGS. Incorporating phylogenetic uncertainty through an empirical prior distribution of trees leads to more precise estimation of regression model parameters than using a single consensus tree and enables a more realistic estimation of confidence intervals. In addition, models incorporating measurement errors and/or individual variation, in one or both variables, are easily formulated in the Bayesian framework. We show that BUGS is a useful, flexible general purpose tool for phylogenetic comparative analyses, particularly for modelling in the face of phylogenetic uncertainty and accounting for measurement error or individual variation in explanatory variables. Code for all models is provided in the BUGS model description language.

Bayesian models for comparative analysis integrating phylogenetic uncertainty

PubMed Central

2012-01-01

Background Uncertainty in comparative analyses can come from at least two sources: a) phylogenetic uncertainty in the tree topology or branch lengths, and b) uncertainty due to intraspecific variation in trait values, either due to measurement error or natural individual variation. Most phylogenetic comparative methods do not account for such uncertainties. Not accounting for these sources of uncertainty leads to false perceptions of precision (confidence intervals will be too narrow) and inflated significance in hypothesis testing (e.g. p-values will be too small). Although there is some application-specific software for fitting Bayesian models accounting for phylogenetic error, more general and flexible software is desirable. Methods We developed models to directly incorporate phylogenetic uncertainty into a range of analyses that biologists commonly perform, using a Bayesian framework and Markov Chain Monte Carlo analyses. Results We demonstrate applications in linear regression, quantification of phylogenetic signal, and measurement error models. Phylogenetic uncertainty was incorporated by applying a prior distribution for the phylogeny, where this distribution consisted of the posterior tree sets from Bayesian phylogenetic tree estimation programs. The models were analysed using simulated data sets, and applied to a real data set on plant traits, from rainforest plant species in Northern Australia. Analyses were performed using the free and open source software OpenBUGS and JAGS. Conclusions Incorporating phylogenetic uncertainty through an empirical prior distribution of trees leads to more precise estimation of regression model parameters than using a single consensus tree and enables a more realistic estimation of confidence intervals. In addition, models incorporating measurement errors and/or individual variation, in one or both variables, are easily formulated in the Bayesian framework. We show that BUGS is a useful, flexible general purpose tool for phylogenetic comparative analyses, particularly for modelling in the face of phylogenetic uncertainty and accounting for measurement error or individual variation in explanatory variables. Code for all models is provided in the BUGS model description language. PMID:22741602

Water-vapor pressure control in a volume

NASA Technical Reports Server (NTRS)

Scialdone, J. J.

1978-01-01

The variation with time of the partial pressure of water in a volume that has openings to the outside environment and includes vapor sources was evaluated as a function of the purging flow and its vapor content. Experimental tests to estimate the diffusion of ambient humidity through openings and to validate calculated results were included. The purging flows required to produce and maintain a certain humidity in shipping containers, storage rooms, and clean rooms can be estimated with the relationship developed here. These purging flows are necessary to prevent the contamination, degradation, and other effects of water vapor on the systems inside these volumes.

Interannual sedimentary effluxes of alkalinity in the southern North Sea: model results compared with summer observations

NASA Astrophysics Data System (ADS)

Pätsch, Johannes; Kühn, Wilfried; Dorothea Six, Katharina

2018-06-01

For the sediments of the central and southern North Sea different sources of alkalinity generation are quantified by a regional modelling system for the period 2000-2014. For this purpose a formerly global ocean sediment model coupled with a pelagic ecosystem model is adapted to shelf sea dynamics, where much larger turnover rates than in the open and deep ocean occur. To track alkalinity changes due to different nitrogen-related processes, the open ocean sediment model was extended by the state variables particulate organic nitrogen (PON) and ammonium. Directly measured alkalinity fluxes and those derived from Ra isotope flux observation from the sediment into the pelagic are reproduced by the model system, but calcite building and calcite dissolution are underestimated. Both fluxes cancel out in terms of alkalinity generation and consumption. Other simulated processes altering alkalinity in the sediment, like net sulfate reduction, denitrification, nitrification, and aerobic degradation, are quantified and compare well with corresponding fluxes derived from observations. Most of these fluxes exhibit a strong positive gradient from the open North Sea to the coast, where large rivers drain nutrients and organic matter. Atmospheric nitrogen deposition also shows a positive gradient from the open sea towards land and supports alkalinity generation in the sediments. An additional source of spatial variability is introduced by the use of a 3-D heterogenous porosity field. Due to realistic porosity variations (0.3-0.5) the alkalinity fluxes vary by about 4 %. The strongest impact on interannual variations of alkalinity fluxes is exhibited by the temporal varying nitrogen inputs from large rivers directly governing the nitrate concentrations in the coastal bottom water, thus providing nitrate necessary for benthic denitrification. Over the time investigated the alkalinity effluxes decrease due to the decrease in the nitrogen supply by the rivers.

YouGenMap: a web platform for dynamic multi-comparative mapping and visualization of genetic maps

Treesearch

Keith Batesole; Kokulapalan Wimalanathan; Lin Liu; Fan Zhang; Craig S. Echt; Chun Liang

2014-01-01

Comparative genetic maps are used in examination of genome organization, detection of conserved gene order, and exploration of marker order variations. YouGenMap is an open-source web tool that offers dynamic comparative mapping capability of users' own genetic mapping between 2 or more map sets. Users' genetic map data and optional gene annotations are...

National Plant Genome Initiative

DTIC Science & Technology

2005-01-01

lines that do not require vernalization to fl ower. The capacity of temperate cereals like wheat and barley to generate spring forms through...the potential to modify fl owering time of different cereals for specifi c climates. 10 Progress Reported in 2004 • Bioinformatics The NPGI...developing an open source genome annotation pipeline as well as tools to present and manage information about natural variation in cereal varieties

Temporal trends and sources of variation in carbon flux from coarse woody debris in experimental forest canopy openings

Treesearch

J. A. Forrester; D. J. Mladenoff; A. W. D' Amato; S. Fraver; Daniel Lindner; N. J. Brazee; M. K. Clayton; S. T. Gower

2015-01-01

Pulses of respiration from coarse woody debris (CWD) have been observed immediately following canopy disturbances, but it is unclear how long these pulses are sustained. Several factors are known to influence carbon flux rates from CWD, but few studies have evaluated more than temperature and moisture. We experimentally manipulated forest structure in a second-growth...

SWATH2stats: An R/Bioconductor Package to Process and Convert Quantitative SWATH-MS Proteomics Data for Downstream Analysis Tools.

PubMed

Blattmann, Peter; Heusel, Moritz; Aebersold, Ruedi

2016-01-01

SWATH-MS is an acquisition and analysis technique of targeted proteomics that enables measuring several thousand proteins with high reproducibility and accuracy across many samples. OpenSWATH is popular open-source software for peptide identification and quantification from SWATH-MS data. For downstream statistical and quantitative analysis there exist different tools such as MSstats, mapDIA and aLFQ. However, the transfer of data from OpenSWATH to the downstream statistical tools is currently technically challenging. Here we introduce the R/Bioconductor package SWATH2stats, which allows convenient processing of the data into a format directly readable by the downstream analysis tools. In addition, SWATH2stats allows annotation, analyzing the variation and the reproducibility of the measurements, FDR estimation, and advanced filtering before submitting the processed data to downstream tools. These functionalities are important to quickly analyze the quality of the SWATH-MS data. Hence, SWATH2stats is a new open-source tool that summarizes several practical functionalities for analyzing, processing, and converting SWATH-MS data and thus facilitates the efficient analysis of large-scale SWATH/DIA datasets.

Low-Cost energy contraption design using playground seesaw

NASA Astrophysics Data System (ADS)

Banlawe, I. A. P.; Acosta, N. J. E. L.

2017-05-01

The study was conducted at Western Philippines University, San Juan, Aborlan, Palawan. The study used the mechanical motion of playground seesaw as a means to produce electrical energy. The study aimed to design a low-cost prototype energy contraption using playground seesaw using locally available and recycled materials, to measure the voltage, current and power outputs produced at different situations and estimate the cost of the prototype. Using principle of pneumatics, two hand air pumps were employed on the two end sides of the playground seesaw and the mechanical motion of the seesaw up and down produces air that is used to rotate a DC motor to produce electrical energy. This electricity can be utilized for powering basic or low-power appliances. There were two trials of testing, each trial tests the different pressure level of the air tank and tests the opening of on-off valve (Full open and half open) when the compressed air was released. Results showed that all pressure level at full open produced significantly higher voltage, than the half open. However, the mean values of the current and power produced in all pressure level at full and half open have negligible variation. These results signify that the energy contraption using playground seesaw is an alternative viable source of electrical energy in the playgrounds, parks and other places and can be used as an auxiliary or back-up source for electricity.

Ecosystem variability in the offshore northeastern Chukchi Sea

NASA Astrophysics Data System (ADS)

Blanchard, Arny L.; Day, Robert H.; Gall, Adrian E.; Aerts, Lisanne A. M.; Delarue, Julien; Dobbins, Elizabeth L.; Hopcroft, Russell R.; Questel, Jennifer M.; Weingartner, Thomas J.; Wisdom, Sheyna S.

2017-12-01

Understanding influences of cumulative effects from multiple stressors in marine ecosystems requires an understanding of the sources for and scales of variability. A multidisciplinary ecosystem study in the offshore northeastern Chukchi Sea during 2008-2013 investigated the variability of the study area's two adjacent sub-ecosystems: a pelagic system influenced by interannual and/or seasonal temporal variation at large, oceanographic (regional) scales, and a benthic-associated system more influenced by small-scale spatial variations. Variability in zooplankton communities reflected interannual oceanographic differences in waters advected northward from the Bering Sea, whereas variation in benthic communities was associated with seafloor and bottom-water characteristics. Variations in the planktivorous seabird community were correlated with prey distributions, whereas interaction effects in ANOVA for walruses were related to declines of sea-ice. Long-term shifts in seabird distributions were also related to changes in sea-ice distributions that led to more open water. Although characteristics of the lower trophic-level animals within sub-ecosystems result from oceanographic variations and interactions with seafloor topography, distributions of apex predators were related to sea-ice as a feeding platform (walruses) or to its absence (i.e., open water) for feeding (seabirds). The stability of prey resources appears to be a key factor in mediating predator interactions with other ocean characteristics. Seabirds reliant on highly-variable zooplankton prey show long-term changes as open water increases, whereas walruses taking benthic prey in biomass hotspots respond to sea-ice changes in the short-term. A better understanding of how variability scales up from prey to predators and how prey resource stability (including how critical prey respond to environmental changes over space and time) might be altered by climate and anthropogenic stressors is essential to predicting the future state of both the Chukchi and other arctic systems.

Spectral-Element Seismic Wave Propagation Codes for both Forward Modeling in Complex Media and Adjoint Tomography

NASA Astrophysics Data System (ADS)

Smith, J. A.; Peter, D. B.; Tromp, J.; Komatitsch, D.; Lefebvre, M. P.

2015-12-01

We present both SPECFEM3D_Cartesian and SPECFEM3D_GLOBE open-source codes, representing high-performance numerical wave solvers simulating seismic wave propagation for local-, regional-, and global-scale application. These codes are suitable for both forward propagation in complex media and tomographic imaging. Both solvers compute highly accurate seismic wave fields using the continuous Galerkin spectral-element method on unstructured meshes. Lateral variations in compressional- and shear-wave speeds, density, as well as 3D attenuation Q models, topography and fluid-solid coupling are all readily included in both codes. For global simulations, effects due to rotation, ellipticity, the oceans, 3D crustal models, and self-gravitation are additionally included. Both packages provide forward and adjoint functionality suitable for adjoint tomography on high-performance computing architectures. We highlight the most recent release of the global version which includes improved performance, simultaneous MPI runs, OpenCL and CUDA support via an automatic source-to-source transformation library (BOAST), parallel I/O readers and writers for databases using ADIOS and seismograms using the recently developed Adaptable Seismic Data Format (ASDF) with built-in provenance. This makes our spectral-element solvers current state-of-the-art, open-source community codes for high-performance seismic wave propagation on arbitrarily complex 3D models. Together with these solvers, we provide full-waveform inversion tools to image the Earth's interior at unprecedented resolution.

A novel differential susceptibility gene: CHRNA4 and moderation of the effect of maltreatment on child personality.

PubMed

Grazioplene, Rachael G; Deyoung, Colin G; Rogosch, Fred A; Cicchetti, Dante

2013-08-01

The differential susceptibility hypothesis states that some genetic variants that confer risk in adverse environments are beneficial in normal or nurturing environments. The cholinergic system is promising as a source of susceptibility genes because of its involvement in learning and neural plasticity. The cholinergic receptor gene CHRNA4 has been linked to characteristics related to the personality traits Neuroticism and Openness/Intellect. The effects of interaction between CHRNA4 genotype and maltreatment status on child personality were examined in a well matched sample of 339 maltreated and 275 non-maltreated children (aged 8-13 years). Variation in CHRNA4 interacted with childhood maltreatment to predict personality in a manner indicating differential susceptibility. The interaction of CHRNA4 and maltreatment status predicted Neuroticism and Openness/Intellect. Maltreated children with the rs1044396 T/T genotype scored highest on Neuroticism and showed no effect of genotype on Openness/Intellect. Non-maltreated children with this genotype scored lowest on Neuroticism and highest on Openness/Intellect. Variation in CHRNA4 appears to contribute to personality by affecting degree of developmental sensitivity to both normal and adverse environments. © 2012 The Authors. Journal of Child Psychology and Psychiatry © 2012 Association for Child and Adolescent Mental Health.

Intercomparison of Open-Path Trace Gas Measurements with Two Dual Frequency Comb Spectrometers

PubMed Central

Waxman, Eleanor M.; Cossel, Kevin C.; Truong, Gar-Wing; Giorgetta, Fabrizio R.; Swann, William C.; Coburn, Sean; Wright, Robert J.; Rieker, Gregory B.; Coddington, Ian; Newbury, Nathan R.

2017-01-01

We present the first quantitative intercomparison between two open-path dual comb spectroscopy (DCS) instruments which were operated across adjacent 2-km open-air paths over a two-week period. We used DCS to measure the atmospheric absorption spectrum in the near infrared from 6021 to 6388 cm−1 (1565 to 1661 nm), corresponding to a 367 cm−1 bandwidth, at 0.0067 cm−1 sample spacing. The measured absorption spectra agree with each other to within 5×10−4 without any external calibration of either instrument. The absorption spectra are fit to retrieve concentrations for carbon dioxide (CO2), methane (CH4), water (H2O), and deuterated water (HDO). The retrieved dry mole fractions agree to 0.14% (0.57 ppm) for CO2, 0.35% (7 ppb) for CH4, and 0.40% (36 ppm) for H2O over the two-week measurement campaign, which included 23 °C outdoor temperature variations and periods of strong atmospheric turbulence. This agreement is at least an order of magnitude better than conventional active-source open-path instrument intercomparisons and is particularly relevant to future regional flux measurements as it allows accurate comparisons of open-path DCS data across locations and time. We additionally compare the open-path DCS retrievals to a WMO-calibrated cavity ringdown point sensor located along the path with good agreement. Short-term and long-term differences between the two systems are attributed, respectively, to spatial sampling discrepancies and to inaccuracies in the current spectral database used to fit the DCS data. Finally, the two-week measurement campaign yields diurnal cycles of CO2 and CH4 that are consistent with the presence of local sources of CO2 and absence of local sources of CH4. PMID:29276547

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

NASA Astrophysics Data System (ADS)

Kim, Jeongnim; Baczewski, Andrew D.; Beaudet, Todd D.; Benali, Anouar; Chandler Bennett, M.; Berrill, Mark A.; Blunt, Nick S.; Josué Landinez Borda, Edgar; Casula, Michele; Ceperley, David M.; Chiesa, Simone; Clark, Bryan K.; Clay, Raymond C., III; Delaney, Kris T.; Dewing, Mark; Esler, Kenneth P.; Hao, Hongxia; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M. Graham; Luo, Ye; Malone, Fionn D.; Martin, Richard M.; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A.; Mitas, Lubos; Morales, Miguel A.; Neuscamman, Eric; Parker, William D.; Pineda Flores, Sergio D.; Romero, Nichols A.; Rubenstein, Brenda M.; Shea, Jacqueline A. R.; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F.; Townsend, Joshua P.; Tubman, Norm M.; Van Der Goetz, Brett; Vincent, Jordan E.; ChangMo Yang, D.; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-01

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater–Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

PubMed

Kim, Jeongnim; Baczewski, Andrew T; Beaudet, Todd D; Benali, Anouar; Bennett, M Chandler; Berrill, Mark A; Blunt, Nick S; Borda, Edgar Josué Landinez; Casula, Michele; Ceperley, David M; Chiesa, Simone; Clark, Bryan K; Clay, Raymond C; Delaney, Kris T; Dewing, Mark; Esler, Kenneth P; Hao, Hongxia; Heinonen, Olle; Kent, Paul R C; Krogel, Jaron T; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M Graham; Luo, Ye; Malone, Fionn D; Martin, Richard M; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A; Mitas, Lubos; Morales, Miguel A; Neuscamman, Eric; Parker, William D; Pineda Flores, Sergio D; Romero, Nichols A; Rubenstein, Brenda M; Shea, Jacqueline A R; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F; Townsend, Joshua P; Tubman, Norm M; Van Der Goetz, Brett; Vincent, Jordan E; Yang, D ChangMo; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-16

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

Application of Method of Variation to Analyze and Predict Human Induced Modifications of Water Resource Systems

NASA Astrophysics Data System (ADS)

Dessu, S. B.; Melesse, A. M.; Mahadev, B.; McClain, M.

2010-12-01

Water resource systems have often used gravitational surface and subsurface flows because of their practicality in hydrological modeling and prediction. Activities such as inter/intra-basin water transfer, the use of small pumps and the construction of micro-ponds challenge the tradition of natural rivers as water resource management unit. On the contrary, precipitation is barely affected by topography and plot harvesting in wet regions can be more manageable than diverting from rivers. Therefore, it is indicative to attend to systems where precipitation drives the dynamics while the internal mechanics constitutes spectrum of human activity and decision in a network of plots. The trade-in volume and path of harvested precipitation depends on water balance, energy balance and the kinematics of supply and demand. Method of variation can be used to understand and predict the implication of local excess precipitation harvest and exchange on the natural water system. A system model was developed using the variational form of Euler-Bernoulli’s equation for the Kenyan Mara River basin. Satellite derived digital elevation models, precipitation estimates, and surface properties such as fractional impervious surface area, are used to estimate the available water resource. Four management conditions are imposed in the model: gravitational flow, open water extraction and high water use investment at upstream and downstream respectively. According to the model, the first management maintains the basin status quo while the open source management could induce externality. The high water market at the upstream in the third management offers more than 50% of the basin-wide total revenue to the upper third section of the basin thus may promote more harvesting. The open source and upstream exploitation suggest potential drop of water availability to downstream. The model exposed the latent potential of economic gradient to reconfigure the flow network along the direction where the marginal benefit is maximized. Therefore, the variation model can help to predict the possible human induced modification of natural water system in order to gain the maximum productivity and benefit.

A multi-purpose open-source triggering platform for magnetic resonance

NASA Astrophysics Data System (ADS)

Ruytenberg, T.; Webb, A. G.; Beenakker, J. W. M.

2014-10-01

Many MR scans need to be synchronised with external events such as the cardiac or respiratory cycles. For common physiological functions commercial trigger equipment exists, but for more experimental inputs these are not available. This paper describes the design of a multi-purpose open-source trigger platform for MR systems. The heart of the system is an open-source Arduino Due microcontroller. This microcontroller samples an analogue input and digitally processes these data to determine the trigger. The output of the microcontroller is programmed to mimic a physiological signal which is fed into the electrocardiogram (ECG) or pulse oximeter port of MR scanner. The microcontroller is connected to a Bluetooth dongle that allows wireless monitoring and control outside the scanner room. This device can be programmed to generate a trigger based on various types of input. As one example, this paper describes how it can be used as an acoustic cardiac triggering unit. For this, a plastic stethoscope is connected to a microphone which is used as an input for the system. This test setup was used to acquire retrospectively-triggered cardiac scans in ten volunteers. Analysis showed that this platform produces a reliable trigger (>99% triggers are correct) with a small average 8 ms variation between the exact trigger points.

A multi-purpose open-source triggering platform for magnetic resonance.

PubMed

Ruytenberg, T; Webb, A G; Beenakker, J W M

2014-10-01

Many MR scans need to be synchronised with external events such as the cardiac or respiratory cycles. For common physiological functions commercial trigger equipment exists, but for more experimental inputs these are not available. This paper describes the design of a multi-purpose open-source trigger platform for MR systems. The heart of the system is an open-source Arduino Due microcontroller. This microcontroller samples an analogue input and digitally processes these data to determine the trigger. The output of the microcontroller is programmed to mimic a physiological signal which is fed into the electrocardiogram (ECG) or pulse oximeter port of MR scanner. The microcontroller is connected to a Bluetooth dongle that allows wireless monitoring and control outside the scanner room. This device can be programmed to generate a trigger based on various types of input. As one example, this paper describes how it can be used as an acoustic cardiac triggering unit. For this, a plastic stethoscope is connected to a microphone which is used as an input for the system. This test setup was used to acquire retrospectively-triggered cardiac scans in ten volunteers. Analysis showed that this platform produces a reliable trigger (>99% triggers are correct) with a small average 8 ms variation between the exact trigger points. Copyright © 2014 Elsevier Inc. All rights reserved.

Diurnal variations of Titan

NASA Astrophysics Data System (ADS)

Cui, J.; Galand, M.; Yelle, R. V.; Vuitton, V.; Wahlund, J.-E.; Lavvas, P. P.; Mueller-Wodarg, I. C. F.; Kasprzak, W. T.; Waite, J. H.

2009-04-01

We present our analysis of the diurnal variations of Titan's ionosphere (between 1,000 and 1,400 km) based on a sample of Ion Neutral Mass Spectrometer (INMS) measurements in the Open Source Ion (OSI) mode obtained from 8 close encounters of the Cassini spacecraft with Titan. Though there is an overall ion depletion well beyond the terminator, the ion content on Titan's nightside is still appreciable, with a density plateau of ~700 cm-3 below ~1,300 km. Such a plateau is associated with the combination of distinct diurnal variations of light and heavy ions. Light ions (e.g. CH5+, HCNH+, C2H5+) show strong diurnal variation, with clear bite-outs in their nightside distributions. In contrast, heavy ions (e.g. c-C3H3+, C2H3CNH+, C6H7+) present modest diurnal variation, with significant densities observed on the nightside. We propose that the distinctions between light and heavy ions are associated with their different chemical loss pathways, with the former primarily through "fast" ion-neutral chemistry and the latter through "slow" electron dissociative recombination. The INMS data suggest day-to-night transport as an important source of ions on Titan's nightside, to be distinguished from the conventional scenario of auroral ionization by magnetospheric particles as the only ionizing source on the nightside. This is supported by the strong correlation between the observed night-to-day ion density ratios and the associated ion lifetimes. We construct a time-dependent ion chemistry model to investigate the effects of day-to-night transport on the ionospheric structures of Titan. The predicted diurnal variation has similar general characteristics to those observed, with some apparent discrepancies which could be reconciled by imposing fast horizontal thermal winds in Titan's upper atmosphere.

All-digital signal-processing open-loop fiber-optic gyroscope with enlarged dynamic range.

PubMed

Wang, Qin; Yang, Chuanchuan; Wang, Xinyue; Wang, Ziyu

2013-12-15

We propose and realize a new open-loop fiber-optic gyroscope (FOG) with an all-digital signal-processing (DSP) system where an all-digital phase-locked loop is employed for digital demodulation to eliminate the variation of the source intensity and suppress the bias drift. A Sagnac phase-shift tracking method is proposed to enlarge the dynamic range, and, with its aid, a new open-loop FOG, which can achieve a large dynamic range and high sensitivity at the same time, is realized. The experimental results show that compared with the conventional open-loop FOG with the same fiber coil and optical devices, the proposed FOG reduces the bias instability from 0.259 to 0.018 deg/h, and the angle random walk from 0.031 to 0.006 deg/h(1/2), moreover, enlarges the dynamic range to ±360 deg/s, exceeding the maximum dynamic range ±63 deg/s of the conventional open-loop FOG.

EvolQG - An R package for evolutionary quantitative genetics

PubMed Central

Melo, Diogo; Garcia, Guilherme; Hubbe, Alex; Assis, Ana Paula; Marroig, Gabriel

2016-01-01

We present an open source package for performing evolutionary quantitative genetics analyses in the R environment for statistical computing. Evolutionary theory shows that evolution depends critically on the available variation in a given population. When dealing with many quantitative traits this variation is expressed in the form of a covariance matrix, particularly the additive genetic covariance matrix or sometimes the phenotypic matrix, when the genetic matrix is unavailable and there is evidence the phenotypic matrix is sufficiently similar to the genetic matrix. Given this mathematical representation of available variation, the \\textbf{EvolQG} package provides functions for calculation of relevant evolutionary statistics; estimation of sampling error; corrections for this error; matrix comparison via correlations, distances and matrix decomposition; analysis of modularity patterns; and functions for testing evolutionary hypotheses on taxa diversification. PMID:27785352

Flow zone characterisation in a fractured aquifer using spring and open-well T and EC monitoring.

NASA Astrophysics Data System (ADS)

Agbotui, Prodeo; West, Landis; Bottrell, Simon

2017-04-01

The Cretaceous Chalk is a very important aquifer in England, and its relatively high transmissivity derives essentially from a well-developed network of solutionally-enhanced fractures and conduits. Like other fractured aquifers, characterisation and delineation of flow pathways and hence catchment boundaries is important. Determination of flow pathways for source catchment delineation (e.g. identification of safeguarding zones around wells) is critical for the effective management and protection of the groundwater resource. It also determines the areal extent of contamination from known sources, and enables the targeted sampling of flow zones e.g. for monitored natural attenuation (MNA). A rather simplistic conceptualisation of the unconfined chalk aquifer of East Yorkshire is currently used as a basis for numerical simulations: linearly reducing hydraulic conductivity (K) with depth below the maximum groundwater elevation, reducing to a minimum value below the zone of groundwater table fluctuation. This study represents an attempt to improve this conceptualisation via improved characterisation of permeable zones within the aquifer. The methods used are: pumping test drawdown analyses for transmissivity, ambient open-well dilution testing; rainfall, groundwater head, and spring / open-well specific electrical conductance (SEC) and temperature monitoring. Pumping test analyses yield overall well transmissivity; the open-well dilution/monitoring approach identifies inflow, outflow, crossflow zones and direction and rate of flow in wells; seasonal changes in flows in wells and springs reflect the annual recharge and recession cycle and the impact of seasonal hydraulic head variation on the activation/deactivation of permeable pathways. Variations in spring and well-water electrical conductivity / temperature provide insight into groundwater residence times and the degree of isolation of groundwater from atmospheric and soil zone sources of CO2. The results of the study combined with stratigraphic information on the aquifer, allows the characterisation of the development of bedding-controlled features such as solutionally-enhanced fractures or conduits, and the role of steeply inclined normal faults. The results have implications for catchment management because it will inform a refinement and improvement of the regulatory body) groundwater model for assessment, evaluation and protection of groundwater resource. The method and techniques used can be applicable for characterising fractured aquifers in other jurisdictions.

Reasoning over genetic variance information in cause-and-effect models of neurodegenerative diseases

PubMed Central

Naz, Mufassra; Kodamullil, Alpha Tom

2016-01-01

The work we present here is based on the recent extension of the syntax of the Biological Expression Language (BEL), which now allows for the representation of genetic variation information in cause-and-effect models. In our article, we describe, how genetic variation information can be used to identify candidate disease mechanisms in diseases with complex aetiology such as Alzheimer’s disease and Parkinson’s disease. In those diseases, we have to assume that many genetic variants contribute moderately to the overall dysregulation that in the case of neurodegenerative diseases has such a long incubation time until the first clinical symptoms are detectable. Owing to the multilevel nature of dysregulation events, systems biomedicine modelling approaches need to combine mechanistic information from various levels, including gene expression, microRNA (miRNA) expression, protein–protein interaction, genetic variation and pathway. OpenBEL, the open source version of BEL, has recently been extended to match this requirement, and we demonstrate in our article, how candidate mechanisms for early dysregulation events in Alzheimer’s disease can be identified based on an integrative mining approach that identifies ‘chains of causation’ that include single nucleotide polymorphism information in BEL models. PMID:26249223

Oil geochemistry of the northern Llanos Basin, Colombia. A model for migration

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

Ramon, J.C.; Dzou, L.

1996-12-31

The chemical composition of 23 crude oils and one oil seep from Llanos Basin, Colombia were studied in detail by geochemical methods in order to understand their genetic relationship. A filling history model is proposed to explain the observed composition variations in Llanos Basin oils. Geochemical fingerprinting indicates that there are six families of crude oils. The biomarker compositions have been used to identify characteristics of the source rocks. The Llanos oils contain marine algal- derived {open_quotes}C30 steranes{close_quotes} (i.e., 24-n-propylcholestanes), which are diagnostic for oils generated from marine Cretaceous source rocks. A significant HC-contribution from a Tertiary source is alsomore » indicated by the presence of high concentration of the {open_quotes}flowering plant{close_quotes}-markers oleanane, bicadinanes and oleanoids. Low DBT/Phen, %sulfur values and high diasteranes concentration indicate that the source rock is clay-rich. Biomarker maturity parameters indicate a wide range of source-rock thermal maturities from early to late oil window. Heavy biodegradation has been particularly common among the first oils to fill reservoirs in central Llanos oil fields. The older altered heavy oils were mixed with a second pulse of oil explaining the wide range of oil gravities measured in the central Llanos Basin.« less

Influence of dietary carbon on mercury bioaccumulation in streams of the Adirondack Mountains of New York and the Coastal Plain of South Carolina, USA

USGS Publications Warehouse

Riva-Murray, Karen; Bradley, Paul M.; Chasar, Lia C.; Button, Daniel T.; Brigham, Mark E.; Eikenberry, Barbara C. Scudder; Journey, Celeste A.; Lutz, Michelle A.

2013-01-01

We studied lower food webs in streams of two mercury-sensitive regions to determine whether variations in consumer foraging strategy and resultant dietary carbon signatures accounted for observed within-site and among-site variations in consumer mercury concentration. We collected macroinvertebrates (primary consumers and predators) and selected forage fishes from three sites in the Adirondack Mountains of New York, and three sites in the Coastal Plain of South Carolina, for analysis of mercury (Hg) and stable isotopes of carbon (δ13C) and nitrogen (δ15N). Among primary consumers, scrapers and filterers had higher MeHg and more depleted δ13C than shredders from the same site. Variation in δ13C accounted for up to 34 % of within-site variation in MeHg among primary consumers, beyond that explained by δ15N, an indicator of trophic position. Consumer δ13C accounted for 10 % of the variation in Hg among predatory macroinvertebrates and forage fishes across these six sites, after accounting for environmental aqueous methylmercury (MeHg, 5 % of variation) and base-N adjusted consumer trophic position (Δδ15N, 22 % of variation). The δ13C spatial pattern within consumer taxa groups corresponded to differences in benthic habitat shading among sites. Consumers from relatively more-shaded sites had more enriched δ13C that was more similar to typical detrital δ13C, while those from the relatively more-open sites had more depleted δ13C. Although we could not clearly attribute these differences strictly to differences in assimilation of carbon from terrestrial or in-channel sources, greater potential for benthic primary production at more open sites might play a role. We found significant variation among consumers within and among sites in carbon source; this may be related to within-site differences in diet and foraging habitat, and to among-site differences in environmental conditions that influence primary production. These observations suggest that different foraging strategies and habitats influence MeHg bioaccumulation in streams, even at relatively small spatial scales. Such influence must be considered when selecting lower trophic level consumers as sentinels of MeHg bioaccumulation for comparison within and among sites.

Spatiotemporal Variation of Dissolved Carbon in Semi-humid/arid Inland Waters: A Case Study from Songnen Plain, China

NASA Astrophysics Data System (ADS)

Song, K.; Li, L.; Zang, S.; Zhao, Y.

2012-12-01

Spatial and seasonal variations of dissolved organic carbon (DOC) and inorganic carbon (DIC) in 34 waters across the semi-humid/arid Songnen Plain, China were examined with 320 samples collected in 2011-2012. Large variations in both the concentration and quality of DOC are revealed, ranging from 0.47 mgL-1 to 720 mgL-1, which is mainly caused by the hydro-climatic condition in the plain. Large variations of DOC and DIC concentrations are observed between open (mean ± sd: 5.6 ± 2.4 mgL-1, 57.4 ± 34.7 mgL-1) and closed lakes (43.3 ± 7.9 mgL-1, 172.9 ± 113.3 mgL-1). Temporally, higher DOC and DIC concentrations are measured for ice-underlying water in winter than ice-free seasons. Colored dissolved organic matter (CDOM) and DOC concentrations are higher after high discharge events with terrigenous sources of CDOM/DOC dominated, while autochthonous sources also contributed to CDOM/DOC concentrations during algal bloom seasons. An interesting result of this study is that the non-outflow conditions for various water catchments had condensed effects on the dissolved carbon, resulting in close relationships between salinity and dissolved carbon parameters, e.g. salinity vs DOC (R2 = 0.83, p < 0.001), DIC (R2 = 0.96, p < 0.0001) using data set collected in 2011. Independent data set collected in May 2012 also confirmed this finding, yielding high correlation for salinity vs DOC (R2 = 0.79, p < 0.001), salinity vs DIC (R2 = 0.91, p < 0.0001), highlighting the potential of quantifying DOC/DIC from salinity measurements for thousand of waters dispersed in the semi-arid Songnen Plain. Indices based on CDOM absorption spectra, e.g. E250:365, DOC specific CDOM absorption (SUVA254) and spectral slope ratio (Sr, S275-295/S350-400), were applied to characterize DOM components and sources. Our results indicate high molecular weight CDOM fractions are more abundant in open waters than closed waters.

Agricultural soil monitoring of PCDD/Fs in the vicinity of a municipal solid waste incinerator in Eastern China: temporal variations and possible sources.

PubMed

Xu, Meng-xia; Yan, Jian-hua; Lu, Sheng-yong; Li, Xiao-dong; Chen, Tong; Ni, Ming-jiang; Dai, Hui-fen; Wang, Fei; Cen, Ke-fa

2009-07-30

The temporal variations of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in 33 agricultural soil samples in the vicinity of a municipal solid waste incinerator (MSWI) in Eastern China were determined one year after the initial investigation in 2006. The soil PCDD/F concentrations in 2007 ranged from 73.6 to 377 ng kg(-1) (0.60-6.38 ng I-TEQ kg(-1)). During 2006-2007, the overall soil PCDD/F levels increased significantly, i.e., 33% and 39% for total concentration and I-TEQ (median value), respectively. Moreover, soils in the study area are proved to be almost free from previously suspected PCDD/F sources, i.e., pentachlorophenol/sodium penta-chlorophenate (PCP/PCP-Na) and 1,3,5-trichloro-2-(4-nitrophenoxy) benzene (CNP) contaminations. Furthermore, the results from a congener-specific factor analysis between soils (collected in two investigations) and dioxin emission sources suggest that diffuse sources including open burning of wastes, traffic and hot water boilers are major contributors that are responsible for the accumulation of PCDD/Fs in soils. By contrast, the impact of the presumably major PCDD/F source identified in our previous study, i.e., the MSWI, seems to be limited.

Spatial and temporal variation of historical anthropogenic NMVOCs emission inventories in China

NASA Astrophysics Data System (ADS)

Bo, Y.; Cai, H.; Xie, S. D.

2008-12-01

Multiyear emission inventories of anthropogenic NMVOCs in China for 1980-2005 were established based on time-varying statistical data, literature surveyed and model calculated emission factors, which were further gridded at a high spatial resolution of 40 km×40 km using the GIS methodology. Results show a continuous growth trend of China's historical NMVOCs emissions during the period of 1980-2005, with the emission increasing by 4.2 times at an annual average rate of 10.6% from 3.91 Tg in 1980 to 16.49 Tg in 2005. Vehicles, biomass burning, industrial processes, fossil fuel combustion, solvent utilization, and storage and transport generated 5.50 Tg, 3.84 Tg, 2.76 Tg, 1.98 Tg, 1.87 Tg, and 0.55 Tg of NMVOCs, respectively, in 2005. Motorcycles, biofuel burning, heavy duty vans, synthetic fibre production, biomass open burning, and industrial and commercial consumption were primary emission sources. Besides, source contributions of NMVOCs emissions showed remarkable annual variation. However, emissions of these sources had been continuously increasing, which coincided well with China's economic growth. Spatial distribution of NMVOCs emissions illustrates that high emissions mainly concentrates in developed regions of northern, eastern and southern coastal areas, which produced more emissions than the relatively underdeveloped western and inland regions. Particularly, southeastern, northern, and central China covering 35.2% of China's territory, generated 59.4% of the total emissions, while the populous capital cities covering merely 4.5% of China's territory, accounted for 24.9% of the national emissions. Annual variation of regional emission intensity shows that emissions concentrating in urban areas tended to transfer to rural areas year by year. Moreover, eastern, southern, central, and northeastern China were typical areas of high emission intensity and had a tendency of expanding to the northwestern China, which revealed the transfer of emission-intensive plants to these areas, together with the increase of biomass open burning.

The Physics of Imaging with Remote Sensors : Photon State Space & Radiative Transfer

NASA Technical Reports Server (NTRS)

Davis, Anthony B.

2012-01-01

Standard (mono-pixel/steady-source) retrieval methodology is reaching its fundamental limit with access to multi-angle/multi-spectral photo- polarimetry. Next... Two emerging new classes of retrieval algorithm worth nurturing: multi-pixel time-domain Wave-radiometry transition regimes, and more... Cross-fertilization with bio-medical imaging. Physics-based remote sensing: - What is "photon state space?" - What is "radiative transfer?" - Is "the end" in sight? Two wide-open frontiers! center dot Examples (with variations.

40 CFR Table 3 to Subpart Wwww of... - Organic HAP Emissions Limits for Existing Open Molding Sources, New Open Molding Sources Emitting...

Code of Federal Regulations, 2010 CFR

2010-07-01

... Existing Open Molding Sources, New Open Molding Sources Emitting Less Than 100 TPY of HAP, and New and... CATEGORIES National Emissions Standards for Hazardous Air Pollutants: Reinforced Plastic Composites... Existing Open Molding Sources, New Open Molding Sources Emitting Less Than 100 TPY of HAP, and New and...

Using Support Vector Machines to Automatically Extract Open Water Signatures from POLDER Multi-Angle Data Over Boreal Regions

NASA Technical Reports Server (NTRS)

Pierce, J.; Diaz-Barrios, M.; Pinzon, J.; Ustin, S. L.; Shih, P.; Tournois, S.; Zarco-Tejada, P. J.; Vanderbilt, V. C.; Perry, G. L.; Brass, James A. (Technical Monitor)

2002-01-01

This study used Support Vector Machines to classify multiangle POLDER data. Boreal wetland ecosystems cover an estimated 90 x 10(exp 6) ha, about 36% of global wetlands, and are a major source of trace gases emissions to the atmosphere. Four to 20 percent of the global emission of methane to the atmosphere comes from wetlands north of 4 degrees N latitude. Large uncertainties in emissions exist because of large spatial and temporal variation in the production and consumption of methane. Accurate knowledge of the areal extent of open water and inundated vegetation is critical to estimating magnitudes of trace gas emissions. Improvements in land cover mapping have been sought using physical-modeling approaches, neural networks, and active microwave, examples that demonstrate the difficulties of separating open water, inundated vegetation and dry upland vegetation. Here we examine the feasibility of using a support vector machine to classify POLDER data representing open water, inundated vegetation and dry upland vegetation.

QMCPACK : an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

DOE PAGES

Kim, Jeongnim; Baczewski, Andrew T.; Beaudet, Todd D.; ...

2018-04-19

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performancemore » computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org.« less

Open-source LCA tool for estimating greenhouse gas emissions from crude oil production using field characteristics.

PubMed

El-Houjeiri, Hassan M; Brandt, Adam R; Duffy, James E

2013-06-04

Existing transportation fuel cycle emissions models are either general and calculate nonspecific values of greenhouse gas (GHG) emissions from crude oil production, or are not available for public review and auditing. We have developed the Oil Production Greenhouse Gas Emissions Estimator (OPGEE) to provide open-source, transparent, rigorous GHG assessments for use in scientific assessment, regulatory processes, and analysis of GHG mitigation options by producers. OPGEE uses petroleum engineering fundamentals to model emissions from oil and gas production operations. We introduce OPGEE and explain the methods and assumptions used in its construction. We run OPGEE on a small set of fictional oil fields and explore model sensitivity to selected input parameters. Results show that upstream emissions from petroleum production operations can vary from 3 gCO2/MJ to over 30 gCO2/MJ using realistic ranges of input parameters. Significant drivers of emissions variation are steam injection rates, water handling requirements, and rates of flaring of associated gas.

QMCPACK : an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

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

Kim, Jeongnim; Baczewski, Andrew T.; Beaudet, Todd D.

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performancemore » computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org.« less

Small-scale open ocean currents have large effects on wind wave heights

NASA Astrophysics Data System (ADS)

Ardhuin, Fabrice; Gille, Sarah T.; Menemenlis, Dimitris; Rocha, Cesar B.; Rascle, Nicolas; Chapron, Bertrand; Gula, Jonathan; Molemaker, Jeroen

2017-06-01

Tidal currents and large-scale oceanic currents are known to modify ocean wave properties, causing extreme sea states that are a hazard to navigation. Recent advances in the understanding and modeling capability of open ocean currents have revealed the ubiquitous presence of eddies, fronts, and filaments at scales 10-100 km. Based on realistic numerical models, we show that these structures can be the main source of variability in significant wave heights at scales less than 200 km, including important variations down to 10 km. Model results are consistent with wave height variations along satellite altimeter tracks, resolved at scales larger than 50 km. The spectrum of significant wave heights is found to be of the order of 70>>2/>(g2>>2>) times the current spectrum, where >> is the spatially averaged significant wave height, >> is the energy-averaged period, and g is the gravity acceleration. This variability induced by currents has been largely overlooked in spite of its relevance for extreme wave heights and remote sensing.