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At least 1,009 records · Page 56

A rare opportunity beckons

There is a great deal of uncertainty for the future of rare-earth production. Rare-earths are a collection of 17 chemical elements in the periodic table, which include scandium and yttrium as well as the 15 lanthanides, such as dysprosium and ytterbium. China has a stranglehold on today's rare-earth market, which was worth about $3bn in 2010, with the country accounting for about 95% of worldwide production. Yet China's future actions can only be guessed at best. In September it halted shipments of rare-earth elements to Japan over a diplomatic spat concerning the detention of a Chinese trawler captain. Although the ban was later lifted, the episode raised concerns around the world about China's rare-earth monopoly and its use in diplomacy. China has already warned that it will not export any rare-earth material in the coming years as it expects its own consumption of rare-earth metals to increase. The country has introduced export taxes as well as production and export quotas, and also refused to grant any new rare-earth mining licences. Furthermore, because its reserves are limited and China's internal markets are growing so rapidly, the country has suggested it will no longer export products that require rare-earth elements, especially those that need heavy rare-earth elements, such as terbium and dysprosium. China's actions have led to huge rises in the cost of rare-earth materials and products. Dysprosium oxide, for example, has shot up from $36 per kilogram in 2005 to a massive $305 per kilogram by late last year. This could have a huge impact on much of today's electronics industry, given that rare-earth elements are ubiquitous in electric motors, computers, batteries, liquid-crystal displays (LCDs) and mobile phones. Neodymium-iron-boron permanent magnets, for example, are used as computer spindle drives. The question is: what can be done to ensure that China's dominance of the rare-earth industry does not affect the military and energy security of the US and other nations? Rare-earth elements are relatively plentiful in the Earth's crust but they are widely dispersed, which makes mining them economically nonviable. The rare-earth industry first took off in the early 1960s with the discovery of the intense red luminescence of europium when excited by electrons. This was quickly utilized by TV manufacturers in the US, which used the material to produce the colour red. Indeed, many of the rare-earth applications arise because each element is unique and so certain elements exhibit behaviours that match a particular application, such as neodymium for lasers and magnets or europium and terbium for the red and green colours in TVs. In the 1960s annual production of rare-earth elements was about 2000 tonnes, with the US company Molycorp supplying 50% of the rare-earth oxides from the Mountain Pass mine in California. This monopoly was broken in the early 1990s when China first began to export separated rare-earth oxides and metals. By the late 1990s China was moving up the supply chain to higher-value products such as magnets and phosphors. Since the turn of the century it has supplied finished products including computers, LCDs and mobile phones. Production of rare-earth elements, which has been increasing by about 10% every year since the 1960s, reached 97,000 tonnes by 2009. Fortunately, new deposits of rare-earths are being discovered all over the world, which means that China now accounts for about 30% of worldwide deposits, rather than 70% as widely thought in the 1980s. But to take advantage of this and break the monopoly, governments outside China need to open new rare-earth deposits, especially those with high concentrations of the heavier rare-earth elements. They also need to expand and open new manufacturing facilities for products that need rare-earths, as well as train scientists to replace the intellectual capital lost during the last 20-30 years because of the Chinese monopoly. The bottom line is that to reduce the rest of the world's dependence on China for a sufficient and continuous supply of rare-earth materials - as well as eliminating the recent Chinese-induced price spikes - mining companies outside China need to increase their output from 6000 tonnes in 2010 to 50,000 tonnes by 2015, according to a forecast by Dudley Kingsnorth of the Industrial Minerals Company of Australia. The Mountain Pass mine is expected to again be in full production in 2012, supplying about 20,000 tonnes per year, and the Mount Weld mine in Australia will start production this year at an annual rate of about 21,000 tonnes. These two deposits, however, contain predominantly the lighter rare-earth elements, such as lanthanum, but there are a number of smaller deposits with a large fraction of heavier rare-earth elements that are expected to come online in the next few years.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Quantized charge transport in chiral Majorana edge modes

Majorana fermions can be realized as quasiparticles in topological superconductors, with potential applications in topological quantum computing. Recently, lattices of magnetic adatoms deposited on the surface of 𝑠-wave superconductors—Shiba lattices—have been proposed as a new platform for topological superconductivity. Furthermore, these systems possess the great advantage that they are accessible via scanning-probe techniques and thus enable the local manipulation and detection of Majorana modes. Using a nonequilibrium Green's function technique we demonstrate that the topological Majorana edge modes of nanoscopic Shiba islands display universal electronic and transport properties. Most remarkably, these Majorana modes possess a quantized charge conductance that is proportional to the topological Chern number, 𝒞, and carry a supercurrent whose chirality reflects the sign of 𝒞. These results establish nanoscopic Shiba islands as promising components in future topology-based devices.

Edge states↗

Covalent integration of polymers and porous organic frameworks

Covalent integration of polymers and porous organic frameworks (POFs), including metal-organic frameworks (MOFs), covalent organic frameworks (COFs) and hydrogen-bonded organic frameworks (HOFs), represent a promising strategy for overcoming the existing limitations of traditional porous materials. This integration allows for the combination of the advantages of polymers, i.e., flexibility, processability and chemical versatility etc., and the superiority of POFs, like the structural integrity, tunable porosity and the high surface area, creating a type of hybrid materials. These resulting polymer-POF hybrid materials exhibit enhanced mechanical strength, chemical stability and functional diversity, thus opening up new opportunities for applications across a large variety of fields, such as gas separation, catalysis, biomedical applications, environmental remediation and energy storage. In this review, an overview of synthetic routes and strategies on how to covalently integrate different polymers with various POFs is discussed, especially with a particular focus on methods like polymerization within, on and among POF structures. To investigate the unique properties and functions of these resultant hybrid materials, the characterization techniques, including nuclear magnetic resonance spectroscopy (NMR), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), transmission electron microscopy (TEM) and scanning electron microscopy (SEM), gas adsorption analysis (BET) and computational modeling and machine learning, are also presented. The ability of polymer-POFs to manipulate the pore environments at the molecular level affords these materials a wide range of applications, providing a versatile platform for future advancements in material science. Looking forward, to fully realize the potential of these hybrid materials, the authors highlight the scalability, green synthesis methods, and potential for stimuli-responsive polymer-POF materials as critical areas for future research.

Hossain, Md Amjad↗

Evaluation of the application of ERTS-1 data to the regional land use planning process

The author has identified the following significant results. Employing simple and economical extraction methods, ERTS can provide valuable data to the planners at the state or regional level with a frequency never before possible. Interactive computer methods of working directly with ERTS digital information show much promise for providing land use information at a more specific level, since the data format production rate of ERTS justifies improved methods of analysis.

Clapp, J. L.↗

Rotational excitation in H2-H2 collisions - Close-coupling calculations

Rotational excitation in molecule-molecule collisions has been treated for the first time by accurate quantum close-coupling scattering calculations, employing an expansion basis set of two to three rotational levels for each molecule and correctly accounting for exchange of identical particles. Elastic and inelastic cross sections have been computed for collisions of para-para, ortho-ortho, and para-ortho hydrogen molecules assuming an intermolecular potential suggested previously. The accuracy of recent 'effective potential' calculations is demonstrated by comparison with the exact quantum results.

Green, S.↗

Monitoring Springs in the Mojave Desert Using Landsat Time Series Analysis

The purpose of this study, based on Landsat satellite data was to characterize variations and trends over 30 consecutive years (1985-2016) in perennial vegetation green cover at over 400 confirmed Mojave Desert spring locations. These springs were surveyed between in 2015 and 2016 on lands managed in California by the U.S. Bureau of Land Management (BLM) and on several land trusts within the Barstow, Needles, and Ridgecrest BLM Field Offices. The normalized difference vegetation index (NDVI) from July Landsat images was computed at each spring location and a trend model was first fit to the multi-year NDVI time series using least squares linear regression.Â

Time Series↗

Estimation of Crop Gross Primary Production (GPP): Do Scaled (MODIS) Vegetation Indices Improve Performance? - 2

Satellite remote sensing estimates of Gross Primary Production (GPP) have routinely been made using spectral Vegetation Indices (VIs) over the past two decades. The Normalized Difference Vegetation Index (NDVI), the Enhanced Vegetation Index (EVI), the green band Wide Dynamic Range Vegetation Index (WDRVIgreen), and the green band Chlorophyll Index (CIgreen) have been employed to estimate GPP under the assumption that GPP is proportional to the product of VI and photosynthetically active radiation (PAR) (where VI is one of four VIs: NDVI, EVI, WDRVIgreen, or CIgreen). However, the empirical regressions between VI*PAR and GPP measured locally at flux towers do not pass through the origin (i.e., the zero X-Y value for regressions). Therefore they are somewhat difficult to interpret and apply. This study investigates (1) what are the scaling factors and offsets (i.e., regression slopes and intercepts) between the fraction of PAR absorbed by chlorophyll of a canopy (fAPARchl) and the VIs, and (2) whether the scaled VIs developed in (1) can eliminate the deficiency and improve the accuracy of GPP estimates. Three AmeriFlux maize and soybean fields were selected for this study, two of which are irrigated and one is rainfed. The four VIs and fAPARchl of the fields were computed with the MODerate resolution Imaging Spectroradiometer (MODIS) satellite images. The GPP estimation performance for the scaled VIs was compared to results obtained with the original VIs and evaluated with standard statistics: the coefficient of determination (R2), the root mean square error (RMSE), and the coefficient of variation (CV). Overall, the scaled EVI obtained the best performance. The performance of the scaled NDVI, EVI and WDRVIgreen was improved across sites, crop types and soil/background wetness conditions. The scaled CIgreen did not improve results, compared to the original CIgreen. The scaled green band indices (WDRVIgreen, CIgreen) did not exhibit superior performance to either the scaled EVI or NDVI in estimating crop daily GPP at these agricultural fields. The scaled VIs are more physiologically meaningful than original un-scaled VIs, but scaling factors and offsets may vary across crop types and surface conditions.

Vegetation Index↗

Advanced Production Surface Preparation Technology Development for Ultra-High Pressure Diesel Injection

In 2007, An Ultra High Injection Pressure (UHIP) fueling method has been demonstrated by Caterpillar Fuel Systems - Product Development, demonstrating ability to deliver U.S. Environment Protection Agency (EPA) Tier 4 Final diesel engine emission performance with greatly reduced emissions handling components on the engine, such as without NOx reduction after-treatment and with only a through-flow 50% effective diesel particulate trap (DPT). They have shown this capability using multiple multi-cylinder engine tests of an Ultra High Pressure Common Rail (UHPCR) fuel system with higher than traditional levels of CEGR and an advanced injector nozzle design. The system delivered better atomization of the fuel, for more complete burn, to greatly reduce diesel particulates, while CEGR or high efficiency NOx reduction after-treatment handles the NOx. With the reduced back pressure of a traditional DPT, and with the more complete fuel burn, the system reduced levels of fuel consumption by 2.4% for similar delivery of torque and horsepower over the best Tier 4 Interim levels of fuel consumption in the diesel power industry. The challenge is to manufacture the components in high-volume production that can withstand the required higher pressure injection.

02 PETROLEUM↗

Envisioning urban environments resilient to vector-borne diseases: a protocol to study dengue in Vietnam

Transmitted primarily by Aedes aegypti (Ae. aegypti) and Aedes albopictus (Ae. albopictus), arboviral diseases pose a major global public health threat. Dengue, chikungunya, and zika are increasingly prevalent in Southeast Asia. Among other arboviruses, dengue and zika are becoming more common in Central and South America. Given human encroachment into previously uninhabited, often deforested areas, to provide new housing in regions of population expansion, conceptualizing built urban environments in a novel way is urgently needed to safeguard against the growing climate change-driven threat of vector-borne diseases. By understanding the spread from a One Health perspective, enhanced control and prevention can be achieved. This is particularly important considering that climate change is likely to significantly impact the persistence of ponded water where mosquitoes breed due to increasing temperature and shifting rainfall patterns with regard to magnitude, duration, frequency, and season. Models can incorporate aquatic mosquito stages and adult spatial dynamics when habitats are heterogeneously available, thereby including dispersal and susceptible-exposed-infected-recovered (SEIR) epidemiology. Coupled with human population distribution (density, locations), atmospheric conditions (air temperature, precipitation), and hydrological conditions (soil moisture distribution, ponding persistence in topographic depressions), modeling has improved predictive ability for infection rates. However, it has not informed interventional approaches from an urban environment perspective which considers the role of ponds/lakes that support green spaces, the density of population that enables rapid spread of disease, and varying micro-habitats for various mosquito stages under climate change. Here, for an example of dengue in Vietnam, a preventive and predictive approach to design resilient urban environments is proposed, which uses data from rapidly expanding metropolitan communities to learn continually. This protocol deploys computational approaches including simulation and machine learning/artificial intelligence, underpinned by surveillance and medical data for validation and adaptive learning. Its application may best inform urban planning in low-middle income countries in tropical zones where arboviral pathogens are prevalent.

60 APPLIED LIFE SCIENCES↗

Performance of the JPEG Estimated Spectrum Adaptive Postfilter (JPEG-ESAP) for Low Bit Rates

Frequency-based, pixel-adaptive filtering using the JPEG-ESAP algorithm for low bit rate JPEG formatted color images may allow for more compressed images while maintaining equivalent quality at a smaller file size or bitrate. For RGB, an image is decomposed into three color bands--red, green, and blue. The JPEG-ESAP algorithm is then applied to each band (e.g., once for red, once for green, and once for blue) and the output of each application of the algorithm is rebuilt as a single color image. The ESAP algorithm may be repeatedly applied to MPEG-2 video frames to reduce their bit rate by a factor of 2 or 3, while maintaining equivalent video quality, both perceptually, and objectively, as recorded in the computed PSNR values.

Linares, Irving↗

DCA_Tools

HPC software for ab-initio, condensed-matter physics, quantum mechanics calculations needs to be built on top of well tested libraries some of which address requirements unique to the programming domain. During the development of the DCA++ code, that we use in our research, we have developed a collection of libraries that may be of use to other computational scientists working in the same or similar domains. The libraries include: a) a pythonic input-language system, b) tensors whose shape is constructed from generalized dimension objects such at time domains. frequency domains, momentum domains, vertex domains et. al. and c) linear algebra operations that resolve to BLA/LAPACK operations when possible. This supports the implementation of Greens functions and operations on them such as are used in condensed matter physics.

Summers, Michael S↗

Utility of Deep Inspiration Breath Hold for Left-Sided Breast Radiation Therapy in Preventing Early Cardiac Perfusion Defects: A Prospective Study

Purpose: To evaluate early cardiac single photon computed tomography (SPECT) findings after left breast/chest wall postoperative radiation therapy (RT) in the setting of deep inspiration breath hold (DIBH). Methods and Materials: We performed a prospective single-institution single-arm study of patients who were planned for tangential RT with DIBH to the left breast/chest wall (± internal mammary nodes). The DIBH was done by use of a controlled surface monitoring technique (AlignRT, Vision RT Ltd, London, UK). The RT was given with tangential fields and a heart block. Radiation-induced cardiac perfusion and wall motion changes were assessed by pre-RT and 6-month post-RT SPECT scans. A cumulative SPECT summed-rest score was used to quantify perfusion in predefined left ventricle segments. The incidence of wall motion abnormalities was assessed in each of these same segments. Results: A total of 20 patients with normal pre-RT scans were studied; their median age was 56 years (range, 39-72 years). Seven (35%) patients also received irradiation to the left internal mammary chain, and 5 (25%) received an additional RT field to supraclavicular nodes. The median heart dose was 94 cGy (range, 56-200 cGy), and the median V25{sub Gy} was zero (range, 0-0.1). None of the patients had post-RT perfusion or wall motion abnormalities. Conclusions: Our results suggest that DIBH and conformal cardiac blocking for patients receiving tangential RT for left-sided breast cancer is an effective means to avoid early RT-associated cardiac perfusion defects.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Feasibility study for a numerical aerodynamic simulation facility. Volume 2: Hardware specifications/descriptions

An FMP (Flow Model Processor) was designed for use in the Numerical Aerodynamic Simulation Facility (NASF). The NASF was developed to simulate fluid flow over three-dimensional bodies in wind tunnel environments and in free space. The facility is applicable to studying aerodynamic and aircraft body designs. The following general topics are discussed in this volume: (1) FMP functional computer specifications; (2) FMP instruction specification; (3) standard product system components; (4) loosely coupled network (LCN) specifications/description; and (5) three appendices: performance of trunk allocation contention elimination (trace) method, LCN channel protocol and proposed LCN unified second level protocol.

Green, F. M.↗

CHALLENGES IN DATA INTENSIVE ANALYSIS AT SCIENTIFIC EXPERIMENTAL USER FACILITIES

This chapter will discuss the critical data intensive analysis and visualiza-tion challenges faced by the experimental science community at large scale and laboratory based facilities. The chapter will further highlight initial solutions under development through community efforts and lay out perspectives for the future, such as the potential of more closely linked experimental and computational science approaches, methods to achieve real time analysis capabilities and the challenges and opportunities of data integration across experimental scales, levels of theory and varying techniques.

Chemical Imaging↗

An asymptotic-preserving semi-Lagrangian algorithm for the anisotropic heat transport equation with arbitrary magnetic fields

Here, we extend the recently proposed semi-Lagrangian algorithm for the extremely anisotropic heat transport equation [Chacón et al., J. Comput. Phys ., 272 (2014)] to deal with arbitrary magnetic field topologies. The original scheme (which showed remarkable numerical properties) was valid for the so-called tokamak-ordering regime, in which the magnetic field magnitude was not allowed to vary much along field lines. The proposed extension maintains the attractive features of the original scheme (including the analytical Green's function, which is critical for tractability) with minor modifications, while allowing for completely general magnetic fields. The accuracy and generality of the approach are demonstrated by numerical experiment with an analytical manufactured solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Phonon dispersion and thermal conductivity of nanocrystal superlattices using three-dimensional atomistic models

A computational study of thermal conductivity and phonon dispersion of gold nanocrystal superlattices is presented. Phonon dispersion curves, reported here for the first time from combined molecular dynamics and lattice dynamics calculations, show multiple phononic band gaps and consist of many more dispersion branches than simple atomic crystals. Fully atomistic three dimensional molecular dynamics calculations of thermal conductivity using the Green Kubo method are also performed for the first time on these materials. Thermal conductivity is observed to increase for increasing nanocrystal core size and decrease for increasing surface ligand density. Our calculations predict values in the range 0.1–1 W/m K that are consistent with reported experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Surface reflectance measurements in the UV from an airborne platform. I

The reflectance of naturally occurring surfaces is measured from a twin engine Cessna 402B aircraft both spectrally (0.29-0.40 micron) with a compact double monochromator and broadband (0.29-1.2 micron) with a UV enhanced photodiode. The measurement system, which is computer controlled and electrically isolated from the aircraft, consists of upward and downward looking hemispheric diffusers, filters, a rotating 90 deg mirror, a focusing lens, and a double monochromator/PMT or the UV photodiode. Measurements are taken at several altitudes enabling the empirical determination of backscatter and attenuation effects on the reflectance. The results are presented for pine forest canopy, green farmland, open ocean, and brown farmland as a function of wavelength and altitude.

Doda, D. D.↗

Entropy Stable h/p-Nonconforming Discretization with the Summation-by-Parts Property for the Compressible Euler and Navier–Stokes Equations

In this paper, we extend the entropy conservative/stable algorithms presented by Del Rey Fernandez and coauthors for the compressible Euler and Navier-Stokes equations on nonconforming p-refined/coarsened curvilinear grids to h/p refinement/coarsening. The main difficulty in developing nonconforming algorithms is the construction of appropriate coupling procedures across nonconforming interfaces. Here, we utilize a computationally simple and efficient approach based upon using decoupled interpolation operators. The resulting scheme is entropy conservative/stable and elementwise conservative. Numerical simulations of the isentropic vortex and viscous shock propagation con firm the entropy conservation/stability and accuracy properties of the method (achieving ~ p + 1 convergence), which are comparable to those of the original conforming scheme. Simulations of the Taylor{Green vortex at R(e) = 1,600 and turbulent flow past a sphere at R(e(infinity)) = 2,000 show the robustness and stability properties of the overall spatial discretization for unstructured grids. Finally, to demonstrate the entropy conservation property of a fully-discrete explicit entropy stable algorithm with h=p refinement/coarsening, we present the time evolution of the entropy function obtained by simulating the propagation of the isentropic vortex using a relaxation Runge-Kutta scheme.

Nonconforming interfaces↗