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Wabash Valley Integrated Gasification Combined Cycle, Coal to Fischer Tropsch Jet Fuel Conversion Study

This reports examines the feasibility of converting the existing Wabash Integrated Gasification Combined Cycle (IGCC) plant into a liquid fuel facility, with the goal of maximizing jet fuel production. The fuels produced are required to be in compliance with Section 526 of the Energy Independence and Security Act of 2007 (EISA 2007 §526) lifecycle greenhouse gas (GHG) emissions requirements, so lifecycle GHG emissions from the fuel must be equal to or better than conventional fuels. Retrofitting an existing gasification facility reduces the technical risk and capital costs associated with a coal to liquids project, leading to a higher probability of implementation and more competitive liquid fuel prices. The existing combustion turbine will continue to operate on low cost natural gas and low carbon fuel gas from the gasification facility. The gasification technology utilized at Wabash is the E-Gas™ Technology and has been in commercial operation since 1995. In order to minimize capital costs, the study maximizes reuse of existing equipment with minimal modifications. Plant data and process models were used to develop process data for downstream units. Process modeling was utilized for the syngas conditioning, acid gas removal, CO 2 compression and utility units. Syngas conversion to Fischer Tropsch (FT) liquids and upgrading of the liquids was modeled and designed by Johnson Matthey Davy Technologies (JM Davy). In order to maintain the GHG emission profile below that of conventional fuels, the CO 2 from the process must be captured and exported for sequestration or enhanced oil recovery. In addition the power utilized for the plant’s auxiliary loads had to be supplied by a low carbon fuel source. Since the process produces a fuel gas with sufficient energy content to power the plant’s loads, this fuel gas was converted to hydrogen and exported to the existing gas turbine for low carbon power production. Utilizing low carbon fuel gas and process steam in the existing combined cycle power plant provides sufficient power for all plant loads. The lifecycle GHG profile of the produced jet fuel is 95% of conventional jet fuel. Without converting the fuel gas to a low carbon fuel gas, the emissions would be 108% of conventional jet fuel and without any GHG mitigation, the profile would be 206%. Oil prices greater than $120 per barrel are required to reach a targeted internal rate of return on equity (IRROE) of 12%. Although capital expenditure is much less than if a greenfield facility was built, the relatively small size of the plant, assumed coal price, and the CTL risk profile used in the economic assumptions lead to a high cost of production. Assuming more favorable factors, the economic oil price could be reduced to $78 per barrel with GHG mitigation and $55 per barrel with no GHG mitigation.

01 COAL, LIGNITE, AND PEAT↗

Nuclear-Renewable Hybrid Energy Systems: 2016 Technology Development Program Plan

The United States is in the midst of an energy revolution, spurred by advancement of technology to produce unprecedented supplies of oil and natural gas. Simultaneously, there is an increasing concern for climate change attributed to greenhouse gas (GHG) emissions that, in large part, result from burning fossil fuels. An international consensus has concluded that the U.S. and other developed nations have an imperative to reduce GHG emissions to address these climate change concerns. The global desire to reduce GHG emissions has led to the development and deployment of clean energy resources and technologies, particularly renewable energy technologies, at a rapid rate. At the same time, each of the major energy sectors—the electric grid, industrial manufacturing, transportation, and the residential/commercial consumers— is increasingly becoming linked through information and communications technologies, advanced modeling and simulation, and controls. Coordination of clean energy generation technologies through integrated hybrid energy systems, as defined below, has the potential to further revolutionize energy services at the system level by coordinating the exchange of energy currency among the energy sectors in a manner that optimizes financial efficiency (including capital investments), maximizes thermodynamic efficiency (through best use of exergy, which is the potential to use the available energy in producing energy services), reduces environmental impacts when clean energy inputs are maximized, and provides resources for grid management. Rapid buildout of renewable technologies has been largely driven by local, state, and federal policies, such as renewable portfolio standards and production tax credits that incentivize investment in these generation sources. A foundational assumption within this program plan is that renewable technologies will continue to be major contributors to the future U.S. energy infrastructure. While increased use of clean renewable technologies will aid in achieving reduced GHG emissions, it also presents new challenges to grid management that must be addressed. These challenges primarily derive from the fundamental characteristics of variable renewable generators, such as wind and solar: non-dispatchability, variable production, and reduced electromechanical inertia. This document presents a preliminary research and development (R&D) plan for detailed dynamic simulation and analysis of nuclear-renewable hybrid energy systems (N-R HES), coupled with integrated energy system design, component development, and integrated systems testing. N-R HES are cooperatively-controlled systems that dynamically apportion thermal and/or electrical energy to provide responsive generation to the power grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Report on LEReC Recombination Monitor APEX Study on June 15th 2016

During the prospective Low Energy RHIC electron Cooling (LEReC) operation, the electron beam will overlap and interact with the low energy ion beam to provide transverse cooling. Cooling is needed to facilitate reaching the BES-2 (Beam Energy Scan 2) program goals of an average store luminosity of 5 × 10 24 cm -2 s -1 at 3.85 GeV/n and 17.3 × 10 24 cm -2 s -1 at 9.1 GeV/n. The RHIC phase of BES-2 is currently planned for the RHIC runs in 2019 and 2020. Effective cooling will depend on the accuracy of velocity matching between the two beams. Another process, the rate of ion-electron recombination, is also maximized when the velocities are matched, but the exact matching requirement is less stringent. Therefore, as suggested by one of us, detecting and maximizing recombination signals should be helpful in finding the narrow velocity matching window conducive to cooling. When 197 Au 79+ RHIC ions pick up an electron from the LEREeC electron beam they are converted into 197 Au 78+ ions with nearly the same momentum while having about 1.3% higher magnetic rigidity than the original 197 Au 79+ particles. The detection of the recombined ions can be done by driving the 197 Au 78+ beam into the beam pipe wall, creating showers of secondary particles which then can be detected outside the cryostat by using appropriately positioned detectors. For the purpose of forcing losses of the expected off-momentum particles a dedicated lattice with large horizontal dispersion in one arc was proposed and designed.

43 PARTICLE ACCELERATORS↗

Report on study of accelerating structures for muons in the velocity range of β=v/c=0.08-0.3 for J-PARC (g-2)/EDM experiment

We explored three types of structures for muon acceleration in the beam velocity range β = 0.08-0.3. Somewhat surprisingly, the venerable DTL looks like the best option based on its low maximal field, reasonable efficiency, and simplicity. It also provides the largest flexibility of the beam focusing options. The accelerating gradient for the DTL is the highest of the considered designs, and can be further increased if needed. The IH-APF structure, the baseline choice, is very attractive due its efficiency and potentially lower fabrication cost. However, detailed EM analysis indicated some reasons for concern, mainly related to the high maximal electric fields. We suggested to change the cavity design to CH type, which leads to a novel type of structure, CH-APF. Dr. M. Otani produced the CST model of CH-APF, and preliminary results of its EM analysis are encouraging. Unfortunately, the fabrication of CH-APF structure is likely more complicated than for IH-APF.

43 PARTICLE ACCELERATORS↗

Self-Shielding Of Transmission Lines

The use of shielding to contend with noise or harmful EMI/EMR energy is not a new concept. An inevitable trade that must be made for shielding is physical space and weight. Space was often not as much of a painful design trade in older larger systems as they are in today’s smaller systems. Today we are packing in an exponentially growing number of functionality within the same or smaller volumes. As systems become smaller and space within systems become more restricted, the implementation of shielding becomes more problematic. Often, space that was used to design a more mechanically robust component must be used for shielding. As the system gets smaller and space is at more of a premium, the trades starts to result in defects, designs with inadequate margin in other performance areas, and designs that are sensitive to manufacturing variability. With these challenges in mind, it would be ideal to maximize attenuation of harmful fields as they inevitably couple onto transmission lines without the use of traditional shielding. Dr. Tom Van Doren proposed a design concept for transmission lines to a class of engineers while visiting New Mexico. This design concept works by maximizing Electric field (E) and Magnetic Field (H) field containment between operating transmission lines to achieve what he called “Self-Shielding”. By making the geometric centroid of the outgoing current coincident with the return current, maximum field containment is achieved. The reciprocal should be true as well, resulting in greater attenuation of incident fields. Figure’s 1(a)-1(b) are examples of designs where the current centroids are coincident. Coax cables are good examples of transmission lines with co-located centroids but they demonstrate excellent field attenuation for other reasons and can’t be used to test this design concept. Figure 1(b) is a flex circuit design that demonstrate the implementation of self-shielding vs a standard conductor layout.

42 ENGINEERING↗

Investigation of Microbunching Instabilities in Modern Recirculating Accelerators

Particle accelerators are machines to accelerate and store charged particles, such as electrons or protons, to the energy levels for various scientific applications. A collection of charged particles usually forms a particle beam. There are three basic types of particle accelerators: linear accelerators (linac), storage-ring (or circular) accelerators, and recirculating accelerators. In a linac, particles are accelerated and pass through once along a linear or straight beamline. Storage-ring accelerators propel particles around a circular track and repetitively append the energy to the stored beam. The third type, also the most recent one in chronology, the recirculating accelerator, is designed to accelerate the particle beam in a short section of linac, circulate the beam, and then either continue to accelerate for energy boost or decelerate it for energy recovery. The beam properties of a linac machine are set at best by the initial particle sources. For storage rings, the beam equilibria are instead determined by the overall machine design. The modern recirculating machines share with linacs the advantages to both accelerate and preserve the beam with high beam quality, as well as efficiently reuse the accelerating components. The beamline design in such a machine configuration can however be much more complicated than that of linacs. As modern accelerators push toward the high-brightness or high-intensity frontier by demanding particles in a highly charged bunch (about nano-Coulomb per bunch) to concentrate in an ever-decreasing beam phase space (transverse normalized emittance about 1 μm and relative energy spread of the order of 10^-5 in GeV beam energy), the interaction amongst particles via their self-generated electromagnetic fields can potentially lead to coherent instabilities of the beam and thus pose significant challenges to the machine design and operation. In the past decade and a half, microbunching instability (MBI) has been one of the most challenging issues for such high-brightness or high-intensity beam transport, as it would degrade lasing performance in the fourth-generation light sources, reduce cooling efficiency in electron cooling facilities, and compromise the luminosity of colliding beams in lepton or lepton-hadron colliders. The dissertation work will focus on the MBI in modern recirculating electron accelerators. It has been known that the collective interactions, the coherent synchrotron radiation (CSR) and the longitudinal space charge (LSC) forces, can drive MBI. The CSR effect is a collective phenomenon in which the electrons in a curved motion, e.g. a bending dipole, emit radiation at a scale comparable to the micro-bunched structure of the bunch distribution. The LSC effect stems from non-uniformity of the charge distribution, acts as plasma oscillation, and can eventually accumulate an amount of energy modulation when the beam traverses a long section of a beamline. MBI can be seeded by non-uniformity or shot noise of the beam, which originates from granularity of the elementary charge. Through the aforementioned collective effects, the modulation of the bunch sub-structure can be amplified and, once the beam-wave interaction formed a positive feedback, can result in MBI. The problem of MBI has been intensively studied for linac-based facilities and for storage-ring accelerators. However, systematic studies for recirculation machines are still very limited and form a knowledge gap. Because of the much more complicated machine configuration of the recirculating accelerators than that of linacs, the existing MBI analysis needs to be extended to accommodate the high-brightness particle beam transport in modern recirculating accelerators. This dissertation is focused on theoretical investigation of MBI in such machine configuration in the following seven themes: (1) Development and generalization of MBI theory The theoretical formulation has been extended so as to be applicable to a general linear beamline lattice including horizontal and vertical transport bending elements, and beam acceleration or deceleration. These featured generalizations are required for MBI analysis in recirculation accelerators. (2) Construction of CSR impedance models In addition to the steady-state CSR interaction, it has been found that the exit transient effect (or CSR drift) can even result in more serious MBI in high-brightness recirculation arcs. The onedimensional free-space CSR impedances, especially the exit transients, are derived. The steady-state CSR impedance is also extended to non-ultrarelativistic beam energy for MBI analysis of low-energy merger sections in recirculating accelerators. (3) Numerical implementation of the derived semi-analytical formulation This includes the development of a semi-analytical Vlasov solver for MBI analysis, and also benchmarking of the solver against massive particle tracking simulations. (4) Exploration of multistage amplification behavior of CSR microbunching development The CSR-induced MBI acts as an amplifier, which amplifies the sub-bunch modulation of a beam. The amplification is commonly quantified by the amplification gain. A beam transport system can be considered as a cascaded amplifier. Unlike the two-stage amplification of four-dipole bunch compressor chicanes employed in linacs, the recirculation arcs, which are usually constituted by several tens of bending magnets, show a distinguishing feature of up to six-stage microbunching amplification for our example arc lattices. That is, the maximal CSR amplification gain can be proportional to the peak bunch current up to sixth power. A method to compare lattice performance has been developed in terms of gain coefficients, which nearly depend on the lattice properties only. This method has also proven to be an effective way to quantify the current dependence of the maximal (5) Control of CSR MBI in multibend transport or recirculation arcs The existing mitigation schemes of MBI mostly aim to linac-based accelerators and may not be practical to the recirculating accelerator facilities. Thus a set of conditions for suppression of CSR MBI was proposed and examined for example lattices from low (~100 MeV) to high (~1 GeV) energies. (6) Study of more aspects of microbunched structures in beam phase spaces For a cascaded amplifier in circuit electronics, the total amplification gain can be estimated as the product of individual gains. In a beam transport line of an accelerator, the (scalar) gain multiplication was examined and found to under-estimate the overall microbunching amplification. The concept of gain matrix was developed, which includes the density, energy and transverse-longitudinal modulations in a beam phase space, and used to analyze MBI for a proposed recirculating machine. Throughout the gain matrix approach, it reasonably gives the upper limit of spectral MBI gain curves. This extended analysis can be employed to study multi-pass recirculation. (7) Study of MBI for magnetized beams Driven by a recent energy-recovery-linac based cooler design for electron cooling at Jefferson Lab Electron-Ion Collider Project, the generalized theoretical formulation for MBI to a transversely coupled beam has been developed and applied to this study. A magnetized beam in general features non-zero canonical angular momentum, thus considered to be a transversely coupled beam. A novel idea of utilizing magnetized beam transport was proposed for improvement of cooling efficiency and possible mitigation of collective effects. A concern of MBI regarding this design was studied and excluded. The large transverse beam size associated with the beam magnetization is found to help suppress MBI via the transverse-longitudinal correlation.

43 PARTICLE ACCELERATORS↗

Water Quality Projects Summary for the Mid-Columbia and Cumberland River Systems

Scheduling and operational control of hydropower systems is accompanied with a keen awareness of the management of water use, environmental effects, and policy, especially within the context of strict water rights policy and generation maximization. This is a multi-objective problem for many hydropower systems, including the Cumberland and Mid-Columbia river systems. Though each of these two systems have distinct operational philosophies, hydrologic characteristics, and system dynamics, they both share a responsibility to effectively manage hydropower and the environment, which requires state-of-the art improvements in the approaches and applications for water quality modeling. The Department of Energy and Oak Ridge National Laboratory have developed tools for total dissolved gas (TDG) prediction on the Mid-Columbia River and a decision-support system used for hydropower generation and environmental optimization on the Cumberland River. In conjunction with IIHR - Hydroscience & Engineering, The University of Iowa and University of Colorado s Center for Advanced Decision Support for Water and Environmental Systems (CADSWES), ORNL has managed the development of a TDG predictive methodology at seven dams along the Mid-Columbia River and has enabled the ability to utilize this methodology for optimization of operations at these projects with the commercially available software package Riverware. ORNL has also managed the collaboration with Vanderbilt University and Lipscomb University to develop a state-of-the art method for reducing high-fidelity water quality modeling results into surrogate models which can be used effectively within the context of optimization efforts to maximize generation for a reservoir system based on environmental and policy constraints. The novel contribution of these efforts is the ability to predict water quality conditions with simplified methodologies at the same level of accuracy as more complex and resource intensive computing methods. These efforts were designed to incorporate well into existing hydropower and reservoir system scheduling models, with runtimes that are comparable to existing software tools. In addition, the transferability of these tools to assess other systems is enhanced due the use of simplistic and easily attainable values for inputs, straight-forward calibration of predictive equation coefficients, and standardized comparison of traditionally familiar outputs.

54 ENVIRONMENTAL SCIENCES↗

NESHAP Dose-Release Factor Isopleths for Five Source-to-Receptor Distances from the Center of Site and H-Area for all Compass Sectors at SRS using CAP88-PC Version 4.0

The Environmental Protection Agency (EPA) requires the use of the computer model CAP88-PC to estimate the total effective doses (TED) for demonstrating compliance with 40 CFR 61, Subpart H (EPA 2006), the National Emission Standards for Hazardous Air Pollutants (NESHAP) regulations. As such, CAP88 Version 4.0 was used to calculate the receptor dose due to routine atmospheric releases at the Savannah River Site (SRS). For estimation, NESHAP dose-release factors (DRFs) have been supplied to Environmental Compliance and Area Closure Projects (EC&ACP) for many years. DRFs represent the dose to a maximum receptor exposed to 1 Ci of a specified radionuclide being released into the atmosphere. They are periodically updated to include changes in the CAP88 version, input parameter values, site meteorology, and location of the maximally exposed individual (MEI). This report presents the DRFs of tritium oxide released at two onsite locations, center-of-site (COS) and H-Area, at 0 ft. elevation to maximally exposed individuals (MEIs) located 1000, 3000, 6000, 9000, and 12000 meters from the release areas for 16 compass sectors. The analysis makes use of area-specific meteorological data (Viner 2014).

54 ENVIRONMENTAL SCIENCES↗

Dual-Particle Imaging System with Neutron Spectroscopy for Safeguard Applications

A dual-particle imager (DPI) has been designed that is capable of detecting gamma-ray and neutron signatures from shielded SNM. The system combines liquid organic and NaI(Tl) scintillators to form a combined Compton and neutron scatter camera. Effective image reconstruction of detected particles is a crucial component for maximizing the performance of the system; however, a key deficiency exists in the widely used iterative list-mode maximum-likelihood estimation-maximization (MLEM) image reconstruction technique. For MLEM a stopping condition is required to achieve a good quality solution but these conditions fail to achieve maximum image quality. Stochastic origin ensembles (SOE) imaging is a good candidate to address this problem as it uses Markov chain Monte Carlo to reach a stochastic steady-state solution. The application of SOE to the DPI is presented in this work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fractionation and catalytic upgrading of bio-oil

The goal was to develop a biomass conversion process that optimizes fractionation and conversion to maximize Carbon efficiency and Hydrogen consumption to obtain drop-in fuels. Selective fractionation of raw biomass was obtained via multi-stage thermal fractionation to produce different streams that are enriched in a particular chemical family (acids, furanics or phenolics). These streams were later catalytically upgraded in both liquid and vapor phase to perform C-C bond formation and hydrodeoxygenation. Among various upgrading strategies investigated we have identified an effective path in which cyclopentanone is a crucial intermediate that can be derived from furfural and other furanics obtained in high concentrations from this thermal staged process. Cyclopentanone is a very versatile molecule, which can couple with itself to product high quality jet-fuel, or couple with phenolic or furanics to create long chain molecules. These (mono-oxygenated) compounds in the correct molecular weight fuel range can be hydrotreated to direct drop-in fuels. Interestingly, we have found that the conversion of furfural to cyclopentanone is not affected by the presence of acetic acid, and, more interestingly, it is enhanced by the presence of water. These are very significant findings, since water and acetic acid are always present in all streams from the primary conversion stage. These results have allowed to complete detailed life-cycle assessment and techno-economic analysis that have been back-fed to the experimentalists to refine the catalyst selection and process operations with the objective of maximizing C efficiency at minimum H utilization. These combined investigations have opened the possibility of an economically and technologically effective process that could result in commercial fuels produced from renewable sources at a cost that might be competitive with fossil fuels.

09 BIOMASS FUELS↗

Final Scientific/Technical Report: Integrating Advanced Software and Statistical Methods for Spectroscopic Dark Energy Surveys

“Dark energy” is a phenomenon of unknown origin that pervades the vacuum of space and is causing the present-day expansion of the universe to accelerate. Understanding the nature of dark energy is one of the most fundamental challenges to modern physics, having the potential to revolutionize our theories of both gravity and elementary particle physics. The effects of dark energy are currently only accessible to astronomical survey experiments that probe large volumes of the cosmos. One of the most powerful forms of experiment for studying dark energy is the cosmological “redshift survey,” which maps the large-scale structure of the universe as traced by the positions of galaxies, quasars, and intergalactic hydrogen clouds. The signature of dark energy and other cosmological parameters is imprinted on this large-scale structure as it evolves over cosmic time. This project focused on maximizing the accurate extraction of information from redshift surveys by improving the algorithms and statistics applied across the chain of inference from raw pixels to high-level cosmological parameter estimation. At the low level, this project developed new techniques for calibrating and analyzing high-background, low signal-to-noise data from astronomical survey spectrographs to provide reliable three-dimensional maps of galaxies and quasars throughout the universe. At the high level, this project developed new statistical frameworks for understanding the completeness of redshift surveys and the underlying demographics of the galaxies that they observe, thereby allowing for a more accurate connection between survey results and theoretical models. This work contributes to maximizing the scientific reach of existing and planned surveys, and opens new potential feasibility for more ambitious surveys in the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Thermal Conductivity of Metallic Uranium

This project has developed a modeling and simulation approaches to predict the thermal conductivity of metallic fuels and their alloys. We focus on two methods. The first method has been developed by the team at the University of Wisconsin Madison. They developed a practical and general modeling approach for thermal conductivity of metals and metal alloys that integrates ab-initio and semi-empirical physics-based models to maximize the strengths of both techniques. The second method has been developed by the team at Virginia Tech. This approach consists of a determining the thermal conductivity using only ab-initio methods without any fitting parameters. Both methods were complementary. The models incorporated both phonon and electron contributions. Good agreement with experimental data over a wide temperature range were found. The models also provided insight into the different physical factors that govern the thermal conductivity under different temperatures. The models were general enough to incorporate more complex effects like additional alloying species, defects, transmutation products and noble gas bubbles to predict the behavior of complex metallic alloys like U-alloy fuel systems under burnup. 3 Introduction Thermal conductivity is an important thermal physical property affecting the performance and efficiency of metallic fuels. Some experimental measurement of thermal conductivity and its correlation with composition and temperature from empirical fitting are available for U, Zr and their alloys with Pu and other minor actinides. However, as reviewed in by Kim, Cho and Sohn, due to the difficulty in doing experiments on actinide materials, thermal conductivities of metallic fuels have only been measured at limited alloy compositions and temperatures, some of them even being negative and unphysical. Furthermore, the correlations developed so far are empirical in nature and may not be accurate when used for prediction at conditions far from those used in the original fitting. Moreover, as fuels burn up in the reactor and fission products are built up, thermal conductivity is also significantly changed. Unfortunately, fundamental understanding of the effect of fission products is also currently lacking. In this project, we probe thermal conductivity of metallic fuels with ab initio calculations, a theoretical tool with the potential to yield better accuracy and predictive power than empirical fitting. This work will both complement experimental data by determining thermal conductivity in wider composition and temperature ranges than is available experimentally, and also develop mechanistic understanding to guide better design of metallic fuels in the future. So far, we focused on α-U perfect crystal, the ground-state phase of U metal. We focus on two methods. The first method has been developed by the team at the University of Wisconsin Madison. They developed a practical and general modeling approach for thermal conductivity of metals and metal alloys that integrates ab-initio and semi-empirical physics-based models to maximize the strengths of both techniques. The second method has been developed by the team at Virginia Tech. This approach consists of a determining the thermal conductivity using only ab-initio methods without any fitting parameters. Both methods were complementary and very helpful to understand the physics behind the thermal conductivity in metallic uranium and other materials with similar characteristics. In Section I, the combined model developed at UWM is explained. In Section II, the ab-initio method developed at VT is described along with the uranium pseudo-potential and its validation. Section III is devoted to the work done by Jianguo Yu at INL. Finally, we will present the performance of the project in terms of milestones, publications, and presentations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Final Report: Advanced Detector Technologies for Precision Measurement of Inflation, Dark Energy, and Neutrino Masses with the Cosmic Microwave Background

Precision measurements of the Cosmic Microwave Background (CMB) provide unparalleled op- portunities to probe the conditions in the early universe and thereby explore particle physics and gravity at the highest energies yet; measure the number of neutrino species and the sum of the neutrino masses with sensitivity beyond what is achievable with planned terrestrial experiments; improve our knowledge of dark energy; and search for other forms of new physics. The P-5 panel recognized the importance and potential of future CMB observations and recommended the DOE fund a stage four CMB experiment (CMB-S4) under all budget scenarios with construction commencing near the end of this decade. The objective of this proposal is to develop and demonstrate new technologies in time to maximize the science return of CMB-S4. The proposed technologies include: (i) broad band metamaterial antireflection coatings on relevant lenses with negligible absorptive and reflective losses; (ii) filters that reduce out of band optical loading with near perfect in band transmission; (iii) broad-band continuously spinning metamaterial half wave plates that boost the sensitivity to inflationary gravitational waves on large angular scales and mitigate systematics with minimal penalty to the instantaneous sensitivity; and (iv) broad band detectors that will enable excellent foreground discrimination while simultaneously maximizing the sensitivity to the signals from inflation and neutrinos. Together these technologies can realize significant improvements in instrumental sensitivity and control of systematic effects. This improvement in raw sensitivity could be used to reduce costs without sacrificing science by deploying a smaller number of more sensitive detectors, or to improve the sensitivity of CMB-S4 to physics parameters including reducing the error bar on r by the inverse of the mapping speed improvement. Beyond raw sensitivity these technologies address key systematics including polarization mixing and galactic foregrounds and enable CMB-S4 to test the shape of the polarization power spectrum out to larger angular scales further boosting measurements of inflation. In this report we detail the progress that has been made in these technical areas. This includes: (i) a demonstration of 4:1 bandwidth AR coating technology and a detailed understanding of the production challenges, (ii) prototype filters that incorporate absorptive and reflective components into silicon, (iii) a prototype broad band HWP fabricated from metamaterial silicon, and (iv) detector designs spanning 20-350 GHz with an understanding of the difficulties associated with bandwidths greater than one octave.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Final Report: Scale-up of Algal Biofuel Production Using Waste Nutrients

Renewable fuels can be more environmentally friendly than conventional fuels and can be produced locally, supporting energy independence. Liquid renewable fuels are of special interest due to their high energy density. Algae are a promising prospective feedstock for low carbon intensity liquid biofuels, due to their high productivity and potential for high lipid or carbohydrate content. Their ability to grow on wastewater and waste nutrients and on non-arable land are cost and sustainability advantages. The organic matter content of wastewater promotes mixotrophic and/or heterotrophic growth of both algae and bacteria, boosting biomass productivity further. However, economic and technologic challenges persist that prevent the scale-up of algal biofuels to commercial relevance. These challenges include algal harvesting, drying, dewatering, and the conversion of algal biomass to usable fuels (Hannon et al 2010, Dunlap and Shaw 2009, Pienkos et al. 2009). The US Department of Energy (DOE) Bioenergy Technologies Office (BETO) supports research to overcome these challenges and outlines the research and development goals for algal biofuels in their Multi-Year Program Plan (MYPP). The long-term goals of the MYPP for algal biofuels research are briefly as follows: develop the domestic ability to produce algal biofuels at a scale of 5 billion gallons per year (BGY) by 2030 and demonstrate technologies that produce biofuel intermediates from algae at a cost of $3/gallon of gasoline equivalent (GGE) by 2022 (BETO MYPP 2016). This research reported herein was funded to investigate methods of meeting an intermediate milestone of 2,500 gallons of biofuel intermediate per acre per year for a non-integrated process by improving algal productivity, harvesting efficiency, and conversion to biofuel intermediates. Use of wastewater and wastewater nutrients was a key distinguishing characteristic of this project. In pursuit of 2,500 gallons of biofuel intermediate (BFI) per acre per year, California Polytechnic State University, San Luis Obispo (Cal Poly) sought to develop the capability to produce biofuel intermediates from microalgae grown on municipal wastewater at a 20-acre algae-based wastewater treatment facility in Delhi, California (37.43° N), which includes 7 acres of raceway ponds. Coupling algal biofuel production with wastewater treatment capitalizes on the abundant waste nutrients and carbon present in wastewater and reduces use of clean water in algal biorefinery systems. In this research, the performance of the full-scale wastewater treatment plant was characterized by measuring productivity, wastewater treatment performance, hydraulic characteristics, and energy consumption. Nine 1,000-L pilot raceways with CO2 addition were used in experiments to maximize productivity. Low-cost, energy-efficient algae bioflocculation and settling were monitored. Population genetics were monitored in an attempt to correlate taxa with superior productivity and/or settling. Algae-bacterial biomass was converted to biofuel intermediates via bench-scale hydrothermal liquefaction (HTL), and the resulting fuel quality was characterized. To develop rapid strain screening capabilities, a climate simulating photobioreactor (“LEAPS”) was developed and validated against outdoor raceways. A techno-economic analysis (TEA) and a lifecycle assessment (LCA) were performed to model process economics and sustainability. The major outcomes of this research included demonstration of 33 g/m2-day annual average algal-bacterial productivity in pilot raceways, and a biofuel intermediate yield of 0.35 g intermediate/g algae biomass via HTL, for a yield of 4,100 gallons BFI per acre per year, assuming a 90% harvest efficiency and ignoring other minor losses. This exceeded the project goal of 2,500 gallons of BFI per acre per year and nearly met the 2030 program goal, highlighting the promise of integrating wastewater treatment and biofuels production. The biocrude BFI produced by the process is refined to diesel and naphtha fuels. These fuels are normalized to the energy content of gasoline (gallons gasoline equivalent, GGE, for comparison to other fuels). Results from the TEA of the this complete “well-to-wheel” process demonstrated that, at a 400-ha scale, a minimum fuel selling price (MFSP) of $12.55/GGE, which could be decreased 57% to $7.14/GGE when including revenue from coupling the biofuel production with the co-products of wastewater treatment services and low carbon fuel credits from California and Federal programs. Due mainly to the high capital costs of thickener centrifuges and hydrothermal processing equipment, the fuel cost is sensitive to scale, with significantly lower costs expected for larger farms. In this research project, significant advances were made in improving raceway algal productivity and fuel production from algae biomass, while also improving process economics. These outcomes brought the algal biofuel technology closer to being a sustainable and marketable process. The remainder of this executive summary is organized into the following six primary project tasks: (1) to optimize biomass productivity for a selected strain at Delhi, (2) to maximize algal productivity and harvesting efficiency in Delhi pilot ponds, (3) a full-scale raceway hydraulic characterization, (4) biomass processing to biofuel intermediates, and (5) scale-up engineering analysis, modeling, and planning.

09 BIOMASS FUELS↗

Tailoring Electron-Photon Interaction in Active 3D Photonic-Crystal Architectures

A photonic-crystal is an artificially engineered periodic structure. It is often referred to as an “optical semiconductor” due to its unparallel capability to mold the flow-of-light on-chip, not only in plane (the x-y plane) but also along the third direction. Examples of the unique 3D control-of-light include diffraction less light-guiding, slow light, super prism, negative refraction and high-Q cavity. A new research frontier exists in which the concept of complete control-of-light is utilized to facilitate and maximize electron-photon interaction. The close proximity and strong interaction between a photonic-crystal and an electronic medium can lead to new optoelectronic properties not easily attainable by other means. In this program, we will study this new class of active photonic-crystal and to achieve improved device performances and basic discoveries. Under this program, the PI has made significant progress in the following areas: (i) We have maximized light trapping and absorption by a 3D simple-cubic photonic-crystal; By advancing the concept of simple-cubic symmetry design, we have successfully designed a super thin-film architecture for high efficiency, crystalline silicon solar cells; Most recently, we have provided a theoretical roadmap for thin-film silicon solar cells with 30% power conversion efficiency. (ii) In the modification of thermal radiation area, we have observed quasi- optical coherence in thermal radiation from a 3D metallic photonic-crystal; Furthermore, we have made a direct confirmation of super-Planckian radiation a tungsten photonic-crystal; (iii) We have made simultaneous observation of a large light diffraction-efficiency, 82%, and efficiency enhancement by a volume hologram material (PQ-PMMA) for solar concentration application. (iv) we have also successfully fabricated a 3D metal-oxide photonic crystal. We demonstrated that this TiO 2 photonic crystal can achieve an effectively infinite optical path-length created using a simple-cubic photonic crystal for extreme light trapping.

36 MATERIALS SCIENCE↗

Approaches for Integrating Renewable Energy Technologies in Oil and Gas Operations

Petroleum (including both oil and gas) heats our homes, drives our transportation system, generates electricity and makes modern life possible. Continued demand from developed countries along with growth from developing economies implies demand for oil and gas will likely continue to be robust. Considering the desire to maximize production efficiency and economic returns, there is increased attention to the fact that nearly 10% of oil is consumed in the process of oil production, transportation and refining (Halabi, et al., 2015), and that a quarter of a barrel of oil is used to produce a barrel of heavy oil (Wesoff, 2015). As oil and gas development shifts to secondary and other non-conventional sources, meeting future demand is anticipated to require substantial amounts of energy to produce, transport and refine petroleum. Increasing efficiency of operations and incorporating energy sources that maximize product revenue while simultaneously addressing local environmental concerns as well as reducing overall greenhouse gas emissions has prompted a growing interest in integrating renewable energy technologies in oil and gas operations. Furthermore, due to dramatic declines in the cost of energy generation from renewable sources, integrating renewable energy technology can in many cases reduce operations costs as well. This report provides an overview of where renewable energy technologies can economically be integrated into oil and gas operations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Neutronic Design and Analysis of the Holos-Quad Concept

HolosGen, LLC is proposing a highly innovative micro-reactor concept targeting both civilian and military applications. It consists of an advanced helium-cooled gas reactor using a turbojet-type turbine and compressor to achieve a highly condensed reactor that fits into a commercial ISO container. The Holos-Quad concept being considered for civilian applications will generate 22MWt, using four Subcritical Power Modules (SPMs) that fit into one 40-foot ISO container. It is a high-temperature gas-cooled reactor concept using TRISO fuel distributed in graphite hexagonal blocks, cooled with helium gas at 7MPa and a high outlet temperature. In FY2019, HolosGen, LLC received an ARPA-E MEITNER grant to team up with the Argonne National Laboratory (ANL) design team to demonstrate the feasibility of the Holos-Quad concept in terms of neutronics. In particular, the evaluation study of the Holos design features and alternative options for reactivity control was considered. Through these tasks, the ANL design team has been working on demonstrating the feasibility of the Holos-Quad concept in terms of neutronics to help advance the core design of the Holos-Quad. A rigorous design approach was employed for the Holos-Quad in order to ensure that the input space is fully investigated, and that the best solutions are considered. The first step of this approach consisted of properly defining the Holos-Quad design problem by identifying the competitive design objectives: its economic performance is maximized with longer lifetime and its transportability to remote locations is maximized with reduced weight. The design problem also required to identify the operational constraints (in terms of thermal hydraulics, reactivity feedback and shutdown margins) and the input parameters that could be varied. In the second step, a sensitivity analysis was performed to enable preliminary investigation of the input space to identify the correlations among input and output variables. It allowed, for instance, to find input parameters that have relatively poor impact on the core performance and that could be removed from the optimization problem to accelerate its convergence. This sensitivity analysis showed that the design problem defined is highly constrained since only 117 solutions out of 1,000 simulated cores met all the design constraints. The design optimization was performed in the third step employing a genetic algorithm to effectively explore this highly constrained input space and find global optimal solutions. More than 2,500 cores were fully evaluated to converge to a Pareto Frontier of optimum solutions providing best compromise between the life-time target and the total core weight, as shown in Figure 1. The main benefit of this approach was to reduce the human effort and to be able to automatically re-run the optimization problem when changing the design problem. The multi-objective optimization identified various core solutions that would be optimum solutions for different types of applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Modeling Sintering Processes of Nanoparticle Inks

The In-Pile Instrumentation program conducts research on advanced manufacturing of sensors for use within nuclear reactor experiments. The process for making these sensors involves the sintering of nanoparticles within solvent. The nanoparticles must be sintered in a way that minimizes pores and maximizes continuity. It has also been observed that the nanoparticle films may fall off the substrate, so maximizing adhesion is also important. To model the sintering process, the phase field method was employed for one and two nanoparticle - substrate systems and the contact angle was measured and compared to existing experimental and theoretical studies.

36 MATERIALS SCIENCE↗