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At least 199 records · Page 11

SIGNATURES OF ILLICIT NUCLEAR PROCUREMENT NETWORKS: AN OVERVIEW OF PRELIMINARY APPROACHES AND RESULTS

The illicit trafficking of strategic nuclear commodities (defined here as the goods needed for a covert nuclear program excluding special nuclear materials) poses a significant challenge to the international nuclear nonproliferation community. Export control regulations, both domestically and internationally, seek to inhibit the spread of strategic nuclear commodities by restricting their sale to parties that may use them for nefarious purposes. However, export controls alone are not sufficient for preventing the illicit transfer of strategic nuclear goods. There are two major pitfalls to relying solely on export control regulations for the deterrence of proliferation of strategic goods. First, export control enforcement today relies heavily on the honesty and willingness of participants to adhere to the legal framework already in place. Secondly, current practices focus on the evaluation of single records which allow for the necessary goods to be purchased separately and hidden within the thousands of legitimate commerce transactions that occur each day, disregarding strategic information regarding several purchases. Our research presents two preliminary data-centric approaches for investigating procurement networks of strategic nuclear commodities. Pacific Northwest National Laboratory (PNNL) has been putting significant effort into nonproliferation activities as an institution, both in terms of the classical nuclear material focused approach and in the examination of other strategic goods necessary to implement a nuclear program. In particular, the PNNL Signature Discovery Initiative (SDI) has codified several scientific methodologies for the detection, characterization, and prediction of signatures that are indicative of a phenomenon of interest. The methodologies and tools developed under SDI have already been applied successfully to problems in bio-forensics, cyber security and power grid balancing efforts and they have now made the nonproliferation of strategic goods into a challenge problem for testing their methodology and tools. As a first step towards the detection and characterization of illicit procurement networks, our research examines procurement networks as defined by a system of entities (people or companies) that enter into transactions of specific items with one another. Once we have defined such networks, we are interested in answering questions about the behavior and characterization of such networks. The questions we wish to answer regarding procurement networks are, first, “Can we detect networks within large, noisy datasets?” and second, “To what extent can we compare multiple networks and identify their similarities?” As procurement networks can be naturally viewed as a graph, we have employed several graph analytic tools to aid in these tasks. In particular, Graphscape, an SDI tool, uses a novel method to approximate edit distance, a graph distance measure based on the number of changes needed to transform one graph into another, in order to measure how similar two given graphs are to each other. Given a set of graphs where vertices represent companies and edges represent a shipment from company A to company B, we can calculate an all-for-all comparison of graphs. In this way, we are able to determine which graphs are most similar, and which require more changes to transform one into the other. The set of graphs to be compared can be further specialized to provide more insight, e.g., using different time periods to explore events in a company life cycle.

graph analysis↗

A Demonstration of Blockchain-Based Energy Transactions between Laboratory Test Homes

Current electricity payment mechanisms and accessible value streams are inhibiting innovation in energy markets that stand to enhance grid security and resilience and enable increased integration of distributed energy resources (DER). In the era of near-instantaneous settlement times brought about by blockchain technology, the unidirectional (customer --> utility) monthly settlement of the incumbent infrastructure appears arcane. The lack of an effective market interface for DER results in fewer value streams for customers, underutilized assets for utilities, and reduced opportunities for vendors/manufacturers. A secure, real-time energy market enabled by blockchain technology presents a transformative opportunity to unlock innovations in DER and integrated controls. Blockchain technology provides a compelling pathway to energy market evolution, however there are several challenges to be addressed, including: simultaneous exchange of currency and energy commodities, ensuring customer privacy, incorporating transmission/distribution losses in energy trading contracts. To address the first of these - commodity tracking - we have established peer-to-peer energy transactions between two test homes at the National Renewable Energy Laboratory. Our research architecture demonstrates integration with high-fidelity metering for commodity tracking, and integration with NREL's foresee(TM) controls platform which orchestrates building loads and DER to execute the energy contract. The digital currency Dash, which supports enhanced privacy features and instant transactions, is employed for transaction settlement. BlockCypher's blockchain-agnostic web services are used to provide future flexibility in integrating various payment and contract options. In this paper we describe the technology, the research methodology employed, and present results on transaction execution speed and compliance with energy trading contracts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Polyketide synthases as a platform for chemical product design

To reduce the effects of greenhouse gas emissions on climate change, scientific efforts have sought to develop biofuels and bio‐based commodity chemicals as petrochemical replacements primarily for their environmental benefits. As the biological design space is far greater than chemical synthesis, there has been a drive to leverage this ability to create and replace fine and specialty chemicals. While polyketide synthases have traditionally been studied for their biosynthesis of pharmaceutical chemicals, the unique advantages of engineering polyketide synthases for the production of biofuels, commodity chemicals, and both pharmaceutical and nonpharmaceutical fine and specialty chemicals are discussed. With our increased understanding of polyketide biosynthetic logic, new computational tools for prospective polyketide synthesis pathways for the creation of existing and novel biochemicals are also outlined. © 2018 American Institute of Chemical Engineers AIChE J , 64: 4201–4207, 2018

Zargar, Amin↗

Introducing perennial biomass crops into agricultural landscapes to address water quality challenges and provide other environmental services: Integrating perennial bioenergy crops into agricultural landscapes

The world is faced with a difficult multiple challenge of meeting nutritional, energy, and other basic needs, under a limited land and water budget, of between 9 and 10 billion people in the next three decades, mitigating impacts of climate change, and making agricultural production resilient. More productivity is expected from agricultural lands, but intensification of production could further impact the integrity of our finite surface water and groundwater resources. Integrating perennial bioenergy crops in agricultural lands could provide biomass for biofuel and potential improvements on the sustainability of commodity crop production. This article provides an overview of ways in which research has shown that perennial bioenergy grasses and short rotation woody crops can be incorporated into agricultural production systems with reduced indirect land use change, while increasing water quality benefits. Current challenges and opportunities as well as future directions are also highlighted.

Cacho, J. F.↗

Advancing catalytic fast pyrolysis through integrated multiscale modeling and experimentation: Challenges, progress, and perspectives

Catalytic fast pyrolysis (CFP) is a conversion process that integrates rapid thermochemical depolymerization of solid feedstocks with catalytic transformation to yield small molecules for fuel and chemical products. This process is well-suited for the conversion of nonfossil feedstocks such as biomass and waste plastics, and thereby holds great potential for the production of renewable commodities. In spite of many technological developments in various aspects of CFP achieved over decades of research, this technology has yet to attain commercial success for the production of fuels and chemicals from renewable feedstocks. Effective CFP processes require careful coordination of chemical and physical phenomena that span very large length and time scales. A broad spectrum of scientific progress in both pyrolysis and catalytic upgrading has provided the foundation for successful deployment of CFP, although additional progress in process-scale integration is yet required for commercial realization. Modeling and simulation tools provide an important framework wherein the CFP technologies by be better understood and evaluated from a holistic perspective. Here we provide a detailed description of the multiscale phenomena underlying CFP, describe challenges and associated technical progress, and suggest strategies for an integrated approach to advance this technology toward commercialization.

09 BIOMASS FUELS↗

Portable SHMEMCache: A High-Performance Key-Value Store on OpenSHMEM and MPI

The integration of Big Data frameworks and HPC capabilities has drawn enormous interests in recent years. SHMEMCache is a distributed key-value store built on the OpenSHMEM global address space. It has solved several practical issues in leveraging OpenSHMEM’s one-sided operations for a distributed key-value store and providing efficient key-value operations on both commodity machines and supercomputers. However, being based solely on OpenSHMEM, SHMEMCache cannot leverage one-sided operations from a variety of software packages. This results in several limitations for SHMEMCache. First, we cannot make SHMEMCache available to a wider range of platforms. Second, an opportunity for potential performance improvement is missed. Third, there is a lack of deep understanding about how different one-sided operations can fit in with SHMEMCache and other distributed key-values in general. For example, the one-sided operations in OpenSHMEM and MPI have many differences in their interfaces, memory semantics and synchronization methods, all of which can have distinct implications and also increase the complexity in supporting both OpenSHMEM and MPI for SHMEMCache. Therefore, we have taken on an effort on leveraging different one-sided operations for SHMEMCache and proposed a design of portable SHMEMCache. Based on this new framework, we have supported both OpenSHMEM and MPI for SHMEMCache. We have also conducted an extensive set of experiments to compare the performance of the two versions on both commodity machines and the Titan supercomputer.

Computer Science↗

Balancing global water availability and use at basin scale in an integrated assessment model

Water is essential for the world’s food supply, for energy production, including bioenergy and hydroelectric power, and for power system cooling. Water is already scarce in many regions of the world and could present a critical constraint as society attempts simultaneously to mitigate climate forcing and adapt to climate change, and to provide for a larger and more prosperous human population. Numerous studies have pointed to growing pressures on the world’s scarce fresh water resources from population and economic growth, and climate change. This study goes further. We use the Global Change Assessment Model to analyze interactions between population, economic growth, energy, land and water resources simultaneously in a dynamically evolving system where competing claims on water resources from all claimants—energy, land, and economy—are reconciled with water resource availability—from renewable water, non-renewable groundwater sources and desalinated water—across 14 geopolitical regions, 151 agriculture-ecological zones, and 235 major river basins. We find that previous estimates of global water withdrawal projections are overestimated. Model simulations show that it is more economical in some basins to alter agricultural and energy activities rather than utilize non-renewable groundwater or desalinated water. This study highlights the importance of accounting for water as a binding factor in agriculture, energy and land use decisions in IAMs and implications for global responses to water scarcity, particularly in the trade of agricultural commodities and land-use decisions.

basin↗

Electrochemical Reduction Selectivity of Crotonaldehyde on Copper

Lignocellulosic waste is a potential feedstock for the generation of fuels and commodity chemicals, but existing conversion methods are too cost-intensive to be viable long-term solutions. Electrochemical reductions are promising for decentralized biomass valorization due to their modular scaling and capacity to run intermittently and without high temperatures or pressures. Using crotonaldehyde as a multi-functional model compound for the many partially unsaturated oxygenates found in processed biomass, we here demonstrate the production of butanal, butanol, butene, and butane (variously useful as commodity chemicals and major components of liquified petroleum gas) under ambient conditions by reductive bulk electrolysis with a copper mesh working electrode. We identify an optimum potential for reduced organic production under the reaction conditions and compare product distributions from reductions of intermediate species to further propose branching reaction pathways. Though butanal is typically the most abundant product from crotonaldehyde reduction, most of the butene and butane appear to result from a pathway involving initial reduction of the aldehyde group. We discuss evidence that selectivity is driven by interplay between crotonaldehyde reduction, local pH shifts due to the hydrogen evolution reaction, and changes in site reactivity and availability due to electrode fouling. This demonstration of model electrochemical biomass valorization also serves to inform further exploration into reduction of multi-functional molecules and electrochemical biomass processing in general.

biomass↗

Unconventional Energy Resources: 2011 Review

This report contains nine unconventional energy resource commodity summaries prepared by committees of the Energy Minerals Division (EMD) of the American Association of Petroleum Geologists. Unconventional energy resources, as used in this report, are those energy resources that do not occur in discrete oil or gas reservoirs held in structural or stratigraphic traps in sedimentary basins. These resources include coal, coalbed methane, gas hydrates, tight gas sands, gas shale and shale oil, geothermal resources, oil sands, oil shale, and uranium resources. Current U.S. and global research and development activities are summarized for each unconventional energy commodity in the topical sections of this report. Coal and uranium are expected to supply a significant portion of the world's energy mix in coming years. Coalbed methane continues to supply about 9% of the U.S. gas production and exploration is expanding in other countries. Recently, natural gas produced from shale and low-permeability (tight) sandstone has made a significant contribution to the energy supply of the United States and is an increasing target for exploration around the world. In addition, oil from shale and heavy oil from sandstone are a new exploration focus in many areas (including the Green River area of Wyoming and northern Alberta). In recent years, research in the areas of geothermal energy sources and gas hydrates has continued to advance. Reviews of the current research and the stages of development of these unconventional energy resources are described in the various sections of this report.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Unconventional Energy Resources: 2013 Review

This report contains nine unconventional energy resource commodity summaries and an analysis of energy economics prepared by committees of the Energy Minerals Division of the American Association of Petroleum Geologists. Unconventional energy resources, as used in this report, are those energy resources that do not occur in discrete oil or gas reservoirs held in structural or stratigraphic traps in sedimentary basins. These resources include coal, coalbed methane, gas hydrates, tight-gas sands, gas shale and shale oil, geothermal resources, oil sands, oil shale, and U and Th resources and associated rare earth elements of industrial interest. Current U.S. and global research and development activities are summarized for each unconventional energy commodity in the topical sections of this report.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Unconventional Energy Resources: 2015 Review

This paper includes 10 summaries for energy resource commodities including coal and unconventional resources, and an analysis of energy economics and technology prepared by committees of the Energy Minerals Division of the American Association of Petroleum Geologists. Unconventional energy resources, as used in this report, are those energy resources that do not occur in discrete oil or gas reservoirs held in structural or stratigraphic traps in sedimentary basins. Such resources include coalbed methane, oil shale, U and Th deposits and associated rare earth elements of industrial interest, geothermal, gas shale and liquids, tight gas sands, gas hydrates, and bitumen and heavy oil. Current U.S. and global research and development activities are summarized for each unconventional energy resource commodity in the topical sections of this report, followed by analysis of unconventional energy economics and technology.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Economics of plant oil recovery: A review

Plant oil is a major agricultural commodity used in food, feed, and chemicals. Presently plant oil is produced from oil seeds either using mechanical pressing or solvent extraction. These technologies have steadily improved for increased oil recovery; however, production cost is especially important for a commodity. Here in this paper three technologies and their costs are reviewed for on-farm pressing, industrial mechanical pressing, and solvent extraction. Solvent extraction is the dominant technology because it offers high oil recovery and low production cost. In contrast, industrial mechanical pressing has the highest production cost because of its low oil yield; nevertheless, the simple process results in the lowest fixed capital investment. For on-farm pressing, lower material cost results in lower production cost than industrial mechanical pressing. Additionally, credits from co-products play an important role in determining total revenues, especially for mechanical pressing. Therefore, broadening the applications and values of the co-product is also critical for profitability for the plant oil industry.

09 BIOMASS FUELS↗

Evapotranspiration of advanced perennial bioenergy grasses produced on marginal land in the U.S. Midwest

The production of dedicated energy crops for biofuel and co-products can help develop a sustainable and viable bioeconomy under a changing climate. The co-production of perennial bioenergy and commodity crops in an agricultural landscape has the potential to reduce greenhouse gas emissions and provide numerous ecosystem services. However, as production of advanced, higher-yielding cultivars occurs, their impact on water resources needs to be considered. Estimates of evapotranspiration (ET) of perennial grasses compared to commodity crops are not always consistent in the literature. In this study, ET was estimated using an energy-balance model with Landsat satellite imagery and ground-based weather data to compare the large-scale production of advanced switchgrass cultivars (‘Independence’, ‘Liberty’, and ‘Carthage’), predecessor cultivars (‘Shawnee’ and ‘Sunburst’), and other perennial grasses (big bluestem and a low-diversity mixture) to corn grown continuously on marginal soils in the U.S. Midwest. Results showed significant differences in ET between corn and perennial grass treatments at four of the five field sites. However, differences between crop treatments were not consistent across sites, nor were the differences between advanced and predecessor switchgrass varieties. Production year played a large role in daily and cumulative ET across all sites. Differences in crop biomass yield between establishment and post-establishment years may contribute to these interannual differences. Site and interannual variations in precipitation and temperature may also be major contributing factors. Overall, the results of this study indicate that differences in ET between perennial bioenergy grasses and corn are likely dependent upon location of production and weather conditions.

09 BIOMASS FUELS↗

What are the effects of Agro-Ecological Zones and land use region boundaries on land resource projection using the Global Change Assessment Model?

Understanding the potential impacts of climate change is complicated by mismatched spatial representations between gridded Earth System Models (ESMs) and Integrated Assessment Models (IAMs), whose regions are typically larger and defined by geopolitical and biophysical criteria. In this study we address uncertainty stemming from the construction of land use regions in an IAM, the Global Change Assessment Model (GCAM), whose regions are currently based on historical climatic conditions (1961-1990). We re-define GCAM’s regions according to projected climatic conditions (2070-2099), and investigate how this changes model outcomes for land use, agriculture, and forestry. By 2100, we find potentially large differences in projected global and regional area of biomass energy crops, fodder crops, harvested forest, and intensive pasture. These land area differences correspond with changes in agricultural commodity prices and production. These results have broader implications for understanding policy scenarios and potential impacts, and for evaluating and comparing IAM and ESM simulations.

54 ENVIRONMENTAL SCIENCES↗

Indirect Estimation of Radioactivity in Containerized Cargo

Detecting illicit nuclear and radiological material in containerized cargo challenges the state of the art in detection systems. Current systems are being evaluated and new systems envisioned to address the need for the high probability of detection and extremely low false alarm rates necessary to thwart potential threats and extremely low nuisance and false alarm rates while maintaining necessary to maintain the flow of commerce impacted by the enormous volume of commodities imported in shipping containers. Maintaining flow of commerce also means that primary inspection must be rapid, requiring relatively indirect measurements of cargo from outside the containers. With increasing information content in such indirect measurements, it is natural to ask how the information might be combined to improved detection. Toward this end, we present an approach to estimating isotopic activity of naturally occurring radioactive material in cargo grouped by commodity type, combining container manifest data with radiography and gamma spectroscopy aligned to location along the container. The heart of this approach is our statistical model of gamma counts within peak regions of interest, which captures the effects of background suppression, counting noise, convolution of neighboring cargo contributions, and down-scattered photons to provide physically constrained estimates of counts due to decay of specific radioisotopes in cargo alone. Coupled to that model, we use a mechanistic model of self-attenuated radiation flux to estimate the isotopic activity within cargo, segmented by location within each container, that produces those counts. We demonstrate our approach by applying it to a set of measurements taken at the Port of Seattle in 2006. This approach to synthesizing disparate available data streams and extraction of cargo characteristics holds the potential to improve primary inspection using current detection capabilities and to enable simulation-based evaluation of new candidate detection systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High-throughput enzyme screening platform for the IPP-bypass mevalonate pathway for isopentenol production

Isopentenol (or isoprenol, 3-methyl-3-buten-1-ol) is a drop-in biofuel and a precursor for commodity chemicals such as isoprene. Biological production of isopentenol via the mevalonate pathway has been optimized extensively in Escherichia coli , yielding 70% of its theoretical maximum. However, high ATP requirements and isopentenyl diphosphate (IPP) toxicity pose immediate challenges for engineering bacterial strains to overproduce commodities utilizing IPP as an intermediate. To overcome these limitations, we developed an “IPP-bypass” isopentenol pathway using the promiscuous activity of a mevalonate diphosphate decarboxylase (PMD) and demonstrated improved performance under aeration-limited conditions. However, relatively low activity of PMD toward the non-native substrate (mevalonate monophosphate, MVAP) was shown to limit flux through this new pathway. By inhibiting all IPP production from the endogenous non-mevalonate pathway, we developed a high-throughput screening platform that correlated promiscuous PMD activity toward MVAP with cellular growth. Successful identification of mutants that altered PMD activity demonstrated the sensitivity and specificity of the screening platform. Strains with evolved PMD mutants and the novel IPP-bypass pathway increased titers up to 2.4-fold. Further enzymatic characterization of the evolved PMD variants suggested that higher isopentenol titers could be achieved either by altering residues directly interacting with substrate and cofactor or by altering residues on nearby α-helices. These altered residues could facilitate the production of isopentenol by tuning either k cat or K i of PMD for the non-native substrate. The synergistic modification made on PMD for the IPP-bypass mevalonate pathway is expected to significantly facilitate the industrial scale production of isopentenol.

09 BIOMASS FUELS↗

Mechanistic understanding of catalytic conversion of ethanol to 1-butene over 2D-pillared MFI zeolite

Ethanol is an important C2 platform molecule for producing value-added chemicals and distillate hydrocarbon fuels (e.g., jet and diesel). Among these, catalytic upgrading of ethanol to butenes can generate valuable commodity chemicals (e.g., 1-butene) and provide C4 olefin intermediates that can be further upgraded to jet/diesel fuels. 2D zeolites offer hierarchical mesoporous structures, leading to improved mass transport and reduced diffusion length, which can help to address the coking challenges faced by ethanol conversion to hydrocarbons over 3D zeolites. In this study, we investigate the acid-catalyzed conversion of ethanol to 1-butene over the Brønsted acid sites (BAS) in 2D-pillared MFI zeolite (2D-PMFI) using ab initio molecular dynamics (AIMD) simulations, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and calorimetric measurements. A detailed thermodynamic analysis, using quasi-harmonic approximation (QHA), on the Gibbs free energy pathway of ethanol conversion shows that the consideration of entropy is critical to accurately capture the detailed thermodynamic profiles. The formation of bulky ethoxy-ethene complex is found to be a potential rate-determining step (RDS), proceeding via stepwise mechanism. The reactivity of 2D-PMFI can be further tuned by manipulating RDS through a careful control of number of BAS and operating temperatures. The accuracy of computational model is confirmed through the comparison of calculated vibrational density of states (VDOS) against the experimental DRIFTS measurements. Overall, our study provides mechanistic insights into ethanol upgrading over the 2D-PMFI and shows the importance of evaluating entropic effects in such confined system.

Ethanol conversion, 2D-pillared zeolite, MFI, Anha↗

Synthesis, Properties, and Metathesis Activity of Polyurethane Thermoplastics and Thermosets from a Renewable Polysesquiterpene Diol

Polyurethanes (PUs) are the sixth most commonly utilized plastic class, yet ∼80% of commodity material is landfilled or incinerated at the end of life. Disposal of thermosets is particularly problematic as cross-linking prevents the repurposing of disposed material. Thus, there is considerable interest in the development of PUs derived from inexpensive feedstocks that can be inherently chemically deconstructed. Ring opening metathesis polymerization (ROMP) of the naturally occurring sesquiterpene β-caryophyllene in the presence of dihydroxy chain terminators afforded the polyol hydroxy-terminated polycaryophyllene (HTPCR). Incorporation of HTPCR into PUs through reaction with polyisocyanates produced polymers with thermal and rheological properties comparable to commodity materials. The feasibility of chemical degradation of both thermoplastic and thermoset materials was also demonstrated through ruthenium-mediated metathesis, utilizing the metathesis-active olefins within the repeat caryophyllene monomer unit. Overall, this work highlights the value of biorenewable, chemically reprocessable polysesquiterpenes in the PU space.

materials↗