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On-the-fly Doppler broadening of unresolved resonance region cross sections

In this paper, two methods for computing temperature-dependent unresolved resonance region cross sections on-the-fly within continuous-energy Monte Carlo neutron transport simulations are presented. The first method calculates Doppler broadened cross sections directly from zero-temperature average resonance parameters. In a simulation, at each event that requires cross section values, a realization of unresolved resonance parameters is generated about the desired energy and temperature-dependent single-level Breit-Wigner resonance cross sections are computed directly via the analytical Ψ-x Doppler integrals. The second method relies on the generation of equiprobable cross section magnitude bands on an energy-temperature mesh. Within a simulation, the bands are sampled and interpolated in energy and temperature to obtain cross section values on-the-fly. Both of the methods, as well as their underlying calculation procedures, are verified numerically in extensive code-to-code comparisons. Energy-dependent pointwise cross sections calculated with the newly-implemented procedures are shown to be in excellent agreement with those calculated by a widely-used nuclear data processing code. Relative differences at or below 0.1% are observed. Integral criticality benchmark results computed with the proposed methods are shown to reproduce those computed with a state-of-the-art processed nuclear data library very well. In simulations of fast spectrum systems which are highly-sensitive to the representation of cross section data in the unresolved region, k-eigenvalue and neutron flux spectra differences of <10 pcm and <1.0% are observed, respectively. The direct method is demonstrated to be well-suited to the calculation of reference solutions — against which results obtained with a discretized representation may be assessed — as a result of its treatment of the energy, temperature, and cross section magnitude variables as continuous. Also, because there is no pre-processed data to store (only temperature-independent average resonance parameters) the direct method is very memory-efficient. Typically, only a few kB of memory are needed to store all required unresolved region data for a single nuclide. However, depending on the details of a particular simulation, performing URR cross section calculations on-the-fly can significantly increase simulation times. Alternatively, the method of interpolating equiprobable probability bands is demonstrated to produce results that are as accurate as the direct reference solutions, to within arbitrary precision, with high computational efficiency in terms of memory requirements and simulation time. Analyses of a fast spectrum system show that interpolation on a coarse energy-temperature mesh can be used to reproduce reference k-eigenvalue results obtained with cross sections calculated continuously in energy and directly at an exact temperature to within <10 pcm. Probability band data on a mesh encompassing the range of temperatures relevant to reactor analysis usually require around 100 kB of memory per nuclide. Finally, relative to the case in which probability table data generated at a single, desired temperature are used, minor increases in simulation times are observed when probability band interpolation is employed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High-resolution X-ray emission spectroscopy with transition-edge sensors: present performance and future potential

X-ray emission spectroscopy (XES) is a powerful element-selective tool to analyze the oxidation states of atoms in complex compounds, determine their electronic configuration, and identify unknown compounds in challenging environments. Until now the low efficiency of wavelength-dispersive X-ray spectrometer technology has limited the use of XES, especially in combination with weaker laboratory X-ray sources. More efficient energy-dispersive detectors have either insufficient energy resolution because of the statistical limits described by Fano or too low counting rates to be of practical use. This paper updates an approach to high-resolution X-ray emission spectroscopy that uses a microcalorimeter detector array of superconducting transition-edge sensors (TESs). TES arrays are discussed and compared with conventional methods, and shown under which circumstances they are superior. It is also shown that a TES array can be integrated into a table-top time-resolved X-ray source and a soft X-ray synchrotron beamline to perform emission spectroscopy with good chemical sensitivity over a very wide range of energies.

Uhlig, J.↗

Energy Provisions of the ICC-700, LEED for Homes, and ENERGY STAR Mapped to the 2009 IECC

This document provides the results of a comparison of building energy efficient elements of the ICC-700 National Green Building Standard, LEED for Homes, and ENERGY STAR versions 2, 2.5, and 3.0 to the 2009 International Energy Conservation Code (2009 IECC). This comparison will provide a tool for states and local municipalities as they consider adoption of these programs. The comparison is presented in a series of appendices. The first appendix provides a summary chart that visually represents the comprehensive comparison of the programs to the 2009 IECC topic areas. Next there are a series of individual tables (one appendix for each program) that include the specific program mapping to the 2009 IECC elements with comments that briefly discuss how well the elements mapped. Finally, a comprehensive table is included that shows all five of the programs mapped to the 2009 IECC elements to allow a detailed comparison.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

How the Assumed Size Distribution of Dust Minerals Affects the Predicted Ice Forming Nuclei

The formation of ice in clouds depends on the availability of ice forming nuclei (IFN). Dust aerosol particles are considered the most important source of IFN at a global scale. Recent laboratory studies have demonstrated that the mineral feldspar provides the most efficient dust IFN for immersion freezing and together with kaolinite for deposition ice nucleation, and that the phyllosilicates illite and montmorillonite (a member of the smectite group) are of secondary importance.A few studies have applied global models that simulate mineral specific dust to predict the number and geographical distribution of IFN. These studies have been based on the simple assumption that the mineral composition of soil as provided in data sets from the literature translates directly into the mineral composition of the dust aerosols. However, these tables are based on measurements of wet-sieved soil where dust aggregates are destroyed to a large degree. In consequence, the size distribution of dust is shifted to smaller sizes, and phyllosilicates like illite, kaolinite, and smectite are only found in the size range 2 m. In contrast, in measurements of the mineral composition of dust aerosols, the largest mass fraction of these phyllosilicates is found in the size range 2 m as part of dust aggregates. Conversely, the mass fraction of feldspar is smaller in this size range, varying with the geographical location. This may have a significant effect on the predicted IFN number and its geographical distribution.An improved mineral specific dust aerosol module has been recently implemented in the NASA GISS Earth System ModelE2. The dust module takes into consideration the disaggregated state of wet-sieved soil, on which the tables of soil mineral fractions are based. To simulate the atmospheric cycle of the minerals, the mass size distribution of each mineral in aggregates that are emitted from undispersed parent soil is reconstructed. In the current study, we test the null-hypothesis that simulating the presence of a large mass fraction of phyllosilicates in dust aerosols in the size range 2 m, in comparison to a simple model assumption where this is neglected, does not yield a significant effect on the magnitude and geographical distribution of the predicted IFN number. Results from sensitivity experiments are presented as well.

Dust↗

BCL: A Cross-Platform Distributed Data Structures Library

One-sided communication is a useful paradigm for irregular parallel applications, but most one-sided programming environments, including MPI's one-sided interface and PGAS programming languages, lack application-level libraries to support these applications. We present the Berkeley Container Library, a set of generic, cross-platform, high-performance data structures for irregular applications, including queues, hash tables, Bloom filters and more. BCL is written in C++ using an internal DSL called the BCL Core that provides one-sided communication primitives such as remote get and remote put operations. The BCL Core has backends for MPI, OpenSHMEM, GASNet-EX, and UPC++, allowing BCL data structures to be used natively in programs written using any of these programming environments. Along with our internal DSL, we present the BCL ObjectContainer abstraction, which allows BCL data structures to transparently serialize complex data types while maintaining efficiency for primitive types. We also introduce the set of BCL data structures and evaluate their performance across a number of high-performance computing systems, demonstrating that BCL programs are competitive with hand-optimized code, even while hiding many of the underlying details of message aggregation, serialization, and synchronization.

Brock, Benjamin↗

Improving Competitiveness of U.S. Coal Dialogue

The Improving Competitiveness of U.S. Coal Dialogue held in September 2017 explored a broad range of technical developments that have the potential to improve U.S. coal competitiveness in domestic and overseas markets. The workshop is one in a series of events hosted by DOE to gather expert input on challenges and opportunities for reviving the coal economy. This event brought together coal industry experts to review developments in a broad range of technical areas such as conventional physical (e.g. dense-medium) technologies, and dry coal treatments; thermal, chemical, and bio-oxidation coal upgrading technologies; coal blending; and applications for ultrafine coal and waste streams. The workshop was organized to focus on three main discussion topics: Challenges and Opportunities for Improving U.S. Coal Competitiveness in Overseas Markets, Mineral Processing, and Technologies to Expand the Market Reach of Coal Products. In each session, invited experts delivered presentations to help frame the subsequent group discussion. Throughout the discussions, participants described many possible areas of research and development (R&D) in which DOE involvement could help to produce significant outcomes. In addition, participants discussed a number of open questions—those that the industry has raised or investigated but not yet resolved. In discussing the three topics, the participants suggested potential areas of research and issues for further investigation. As summarized in Table ES-1, these crosscutting suggestions centered on combustion technologies, coal quality, coal processing, environmental issues, and other issues. The discussions at this workshop will serve as an input that DOE considers in developing initiatives that can be pursued by government and industry. This workshop generated strategies that described core research concepts, identified implementation steps, estimated benefits, clarified roles of government and industry, and outlined next steps. While more work is needed, each of these initiatives, included in the sections that follow, details new ideas to increase efficiency and reduce carbon emissions. DOE will integrate the results of this workshop with ongoing research work at the National Laboratories as well as other relevant data sources. This combined information will be used to develop a comprehensive strategy for capitalizing on the opportunity for U.S. coal and mineral competitiveness.

01 COAL, LIGNITE, AND PEAT↗

Far Ultraviolet Imaging from the Image Spacecraft

Direct imaging of the magnetosphere by the IMAGE spacecraft will be supplemented by observation of the global aurora. The IMAGE satellite instrument complement includes three Far Ultraviolet (FUV) instruments. The Wideband Imaging Camera (WIC) will provide broad band ultraviolet images of the aurora for maximum spatial and temporal resolution by imaging the LBH N2 bands of the aurora. The Spectrographic Imager (SI), a novel form of monochromatic imager, will image the aurora, filtered by wavelength. The proton-induced component of the aurora will be imaged separately by measuring the Doppler-shifted Lyman-a. Finally, the GEO instrument will observe the distribution of the geocoronal emission to obtain the neutral background density source for charge exchange in the magnetosphere. The FUV instrument complement looks radially outward from the rotating IMAGE satellite and, therefore, it spends only a short time observing the aurora and the Earth during each spin. To maximize photon collection efficiency and use efficiently the short time available for exposures the FUV auroral imagers WIC and SI both have wide fields of view and take data continuously as the auroral region proceeds through the field of view. To minimize data volume, the set of multiple images are electronically co-added by suitably shifting each image to compensate for the spacecraft rotation. In order to minimize resolution loss, the images have to be distort ion-corrected in real time. The distortion correction is accomplished using high speed look up tables that are pre-generated by least square fitting to polynomial functions by the on-orbit processor. The instruments were calibrated individually while on stationary platforms, mostly in vacuum chambers. Extensive ground-based testing was performed with visible and near UV simulators mounted on a rotating platform to emulate their performance on a rotating spacecraft.

Mende, S. B.↗

Modeling and Analysis of Stirling Power Convertors

Modeling and Analysis of Stirling Power Convertors Luis A. Rodriguez1 Steven M. Geng, Terry V. Reid, Scott D. Wilson NASA Glenn Research Center, Cleveland, OH, 44135, USA NASA Glenn’s Thermal Energy Conversion Branch is supporting the development of the next generation free-piston Stirling power convertors. American Superconductor (AMSC) and Sunpower Inc. are the two firms under contract to develop the Flexure Isotope Stirling Convertor (FISC) and the Sunpower Robust Stirling Convertor (SRSC), respectively. To comprehend and forecast convertor performance, Sage, ANSYS® Maxwell, and ANSYS® Fluent were used to model the Stirling thermodynamic cycle, alternator electromagnetics, and piston and displacer dynamics. I. Introduction Stirling convertors are being developed by NASA as a potential steady source of electrical power for NASA’s future scientific space missions. Currently, NASA Glenn Research Center has two corporations under contract, American Superconductor (AMSC) and Sunpower Inc., for the development of the next generation of free-piston Stirling convertors for dynamic radioisotope power systems. AMSC is developing the Flexure Isotope Stirling Convertor (FISC), which uses flexures to prevent side motion and rubbing of the piston. Similarly, Sunpower Inc, is developing the Sunpower Robust Stirling Convertor (SRSC). The SRSC uses gas bearings to prevent radial contact of the moving piston. As convertor development continues, it is increasingly important to understand and predict the interactions of components in the system, how they respond to one another, and how they perform as a response to changes in operating conditions. A suitable and enlightening way to demonstrate and foresee these interactions is with the use of accurate modeling software. Sage, ANSYS® Maxwell, and ANSYS® Fluent are the current modeling tools used by NASA to analytically determine convertor performance. Sage is a one-dimensional object-oriented commercial software package used for modeling and optimizing Stirling convertors for Dynamic Radioisotope Power Systems (DRPS) and it is one of the most accurate Stirling convertor codes in use by NASA. This code is the successor to GLIMPS (Globally-Implicit Stirling Cycle Simulation) and GLOP (GLIMPS Optimization) software created by Gedeon Associates [1]. Model input parameters are typically material/gas type, component physical dimensions, temperatures, frequency, charge pressure, and number of time/space nodes. Sage is used to model both the FISC’s and SRSC’s Stirling cycle thermodynamics and piston/displacer dynamics. Performance maps were created and analyzed for both power systems to better understand the relationship between the following conditions: cold-end temperature, hot-end temperature, piston/displacer amplitudes, pressure drop, and thermal input power. The synergy between these conditions will help determine parameter sensitivity. ANSYS® Maxwell was used to create a three-dimensional (3-D) axisymmetric model for both FISC and SRSC alternators. The significant physical components included in each model are the magnets, magnet carrier, outer/inner laminations, and the coil. Inputs to the model are piston amplitude, piston frequency, alternator load, coil resistance, tuning capacitance, and specific material properties. The alternator models calculate terminal voltage, current, piston/current phase, voltage/current phase, coil inductance, terminal power and efficiency. The RI2 losses, core (hysteresis and eddy) losses, and magnet/can eddy losses are also a part of the final results. ANSYS® Fluent is used to build 3-D computational fluid dynamic (CFD) models to examine the Stirling cycle thermodynamics for both the FISC and SRSC systems. Three-dimensional Computer Aided Design (CAD) models were used to create the physical components of each convertor. Steady-state simulations were conducted for hardware testing, prediction of environmental losses during testing, and generation of radiation look-up tables. The model inputs to the aforementioned analysis are the material properties and boundary thermal conditions. The steady-state model calculates temperature and heat flow distributions. Transient 3-D calculations were also part of the CFD analysis. In this study a physically reduced version of the FISC is used to obtain a prediction of available engine power. For the gas bearing SRSC, the transient effort is used to obtain a prediction of bearing pad performance and its sensitivity to micro-channel geometric variation. The model inputs to the transient simulations are the piston amplitude, displacer amplitude, frequency, displacer/piston phase angle, dynamic deforming CFD grid, temperature boundary conditions, and user defined files describing motion profile of piston/displacer. The results of the model are temperature distributions, heat distributions, and PV power produced at pre-determined conditions.

Luis A Rodriguez↗

Feasibility study of real-time planning for stereotactic radiosurgery

Purpose: 3D rotational setup errors in radiotherapy are often ignored by most clinics due to inability to correct or simulate them accurately and efficiently. There are two types of rotation-related problems in a clinical setting. One is to assess the affected dose distribution in real-time if correction is not applied and the other one is to correct the rotational setup errors prior to the initiation of the treatment. Here, the authors present the analytical solutions to both problems. Methods: (1) To assess the real-time dose distribution, eight stereotactic radiosurgery (SRS) cases were used as examples. For each plan, two new sets of beams with different table, gantry, and collimator angles were given in analytical forms as a function of patient rotational errors. The new beams simulate the rotational effects of the patient during the treatment setup. By using one arbitrary set of beams, SRS plans were recomputed with a series of different combinations of patient rotational errors, ranging from (-5 Degree-Sign , -5 Degree-Sign , -5 Degree-Sign ) to (5 Degree-Sign , 5 Degree-Sign , 5 Degree-Sign ) (roll, pitch, and yaw) with an increment of 1 Degree-Sign and compared with those without rotational errors. For each set of rotational errors, its corresponding equivalent beams were computed using the analytical solutions and then used for dose calculation. (2) To correct for the rotational errors, two new sets of table, gantry, and collimator angles were derived analytically to validate the previously published derivation. However, in the derivation, a novel methodology was developed and two sets of table, gantry, and collimator angles were obtained in analytical forms. The solutions provide an alternative approach to rotational error correction by rotating the couch, gantry, and collimator rather than the patient. Results: For demonstration purpose, the above-derived new beams were implemented in a treatment planning system (TPS) to study the rotational effects on the SRS cases. For each case, the authors have generated ten additional plans that accounted for different rotations of the patient. They have found that rotations have an insignificant effect on the minimal, maximum, mean doses, and V{sub 80%} of the planning target volume (PTV) when the rotations were relatively small. This was particularly true for the small and near-spherical targets. They, however, did change V{sub 95%} significantly when the rotations approached 5 Degree-Sign . The theory has been validated with clinical SRS cases and proven to be practical and viable. The preliminary results demonstrate that the rotational effects are patient-specific and depend on several important factors, such as the PTV size, the PTV location, and the beam configuration. The solutions given in this paper are of great potential values in clinical applications. Conclusions: They have derived the analytical solutions to a new set of table, gantry, and collimator angles for a given treatment beam configuration as a function of patient rotational errors. One solution was used to assess the dosimetric effects of an imperfect patient setup and the other one was used to correct for the setup errors without rotating the patient. Compared to the widely adopted method of rotation effect assessment by importing the rotational CT images into TPS, the equivalent beam approach is simple and accurate. The analytical solutions to correcting for rotational setup errors prior to treatment were also derived. Based on the initial clinical investigations, they firmly believe that clinically viable real-time treatment planning and adaptive radiation therapy are feasible with this novel method.

60 APPLIED LIFE SCIENCES↗

Body and canard effects on an attached-flow maneuver wing at Mach 1.62

A wing-body-canard configuration was tested at a Mach number of 1.62 by using both a cambered and an uncambered wing. The cambered wing was designed to produce efficient high lift by using attached supercritical crossflow and was originally tested as an isolated wing. The uncambered wing has the same planform and essentially the same thickness distribution as the cambered wing. The experiment determined the effects of a body and canards on both wings. The experimental data showed that both the body and the canards influenced the wing pressure levels, but that the attached supercritical crossflow, which was achieved in the isolated cambered-wing test, was maintained in the presence of a body and canards. Tables of experimental pressure, force, and moment data are included, as well as photographs of oil flow patterns on the upper surface.

Pittman, J. L.↗

A Web Service and Android Application for the Distribution of Rainfall Estimates and Earth Observation Data

The full potential of Satellite Rainfall Estimates (SRE) can only be realized if timely access to the datasets is possible. Existing data distribution web portals are often focused on global products and offer limited customization options, especially for the purpose of routine regional monitoring. Furthermore, most online systems are designed to meet the needs of desktop users, limiting the compatibility with mobile devices. In response to the growing demand for SRE and to address the current limitations of available web portals a project was devised to create a set of freely available applications and services, available at a common portal that can: (1) simplify cross-platform access to Tropical Rainfall Measuring Mission Online Visualization and Analysis System (TOVAS) data (including from Android mobile devices), (2) provide customized and continuous monitoring of SRE in response to user demands and (3) combine data from different online data distribution services, including rainfall estimates, river gauge measurements or imagery from Earth Observation missions at a single portal, known as the Tropical Rainfall Measuring Mission (TRMM) Explorer. The TRMM Explorer project suite includes a Python-based web service and Android applications capable of providing SRE and ancillary data in different intuitive formats with the focus on regional and continuous analysis. The outputs include dynamic plots, tables and data files that can also be used to feed downstream applications and services. A case study in Southern Angola is used to describe the potential of the TRMM Explorer for SRE distribution and analysis in the context of ungauged watersheds. The development of a collection of data distribution instances helped to validate the concept and identify the limitations of the program, in a real context and based on user feedback. The TRMM Explorer can successfully supplement existing web portals distributing SRE and provide a cost-efficient resource to small and medium-sized organizations with specific SRE monitoring needs, namely in developing and transition countries.

precipitation↗

National Plan for the Disposal of Existing and Future TRU Wastes - 18616

Now that the Waste Isolation Pilot Plant (WIPP) has re-opened, after being down for three years due to an accident the DOE National TRU Program has re-developed a plan for the disposal of existing and future TRU wastes. The National TRU Waste Management Plan (NTWMP) is an integrated plan to address the needs of DOE sites across the DOE Weapons Complex that create and store TRU waste, and is centered on the capability of WIPP to receive and dispose of TRU waste. The WIPP capability is planned as a weekly shipping rate and is defined by emplacement and receipt rate capabilities since WIPP is not permitted for long-term storage. And, shipping rates may be constrained by new WIPP Waste Acceptance Criteria (WAC) and future plans for repository configurations and disposal package capabilities over the next 30 years. Since WIPP is the only disposal system available to the DOE for TRU waste disposal, DOE has a newly projected life-cycle need for WIPP to remain open and available up to 2050. It is projected that the need for WIPP will continue up to the year 2050 for the disposition of the remaining legacy TRU inventories and for the disposal of TRU waste continuing to be generated at DOE's National Laboratories. In addition, there are several other potential new waste streams in which WIPP is being considered an alternative solution for their disposition. The NTWMP has been updated to reflect the short-term and long-term plans for TRU waste disposal at WIPP. The short-term plan is used by DOE for budget projection and integration purposes to facilitate and inform budget planning, both in DOE's Environmental Management (EM) and National Nuclear Security Administration (NNSA) organizations. Most legacy TRU waste (generated in the past and stored at DOE sites today) is owned and managed by EM. And, EM submits integrated budget requests for DOE sites, including the integration of resources for TRU waste management. NNSA and DOE's Office of Science (OS) funds TRU waste management as part of their mission funding and NNSA should eventually be the primary user of the WIPP resources as EM's legacy TRU waste is cleaned-up. Prior to the unexpected shutdown of WIPP in 2014, there was a small back-log of waste certified for WIPP disposal and shipments of TRU waste to WIPP were 'just-in-time' as waste was certified. After three years of WIPP being down, DOE sites have built significant back-logs of TRU waste to be certified for WIPP. That back-log built up to over 25,000 containers of TRU waste during that three-year period (Table 1). The backlog included both Contact-Handled (CH) TRU waste and Remote-Handled (RH) TRU waste, and even though WIPP re-opened in April of 2017, it is only open for TRU waste containers that can be stacked on disposal room floors. Plans for changing RH waste disposal packages and methods are in-the-works, but are not yet mature enough for significant planning. In addition, the WIPP underground facilities are now partially contaminated with radioactive particulate, which significantly reduces the WIPP operational efficiencies as compared to 2014. With a large back-log of waste ready for WIPP disposal and limited throughput for WIPP disposal rates, the focus of the NTWMP is to prioritize the selection of TRU wastes from the various sites based on WIPP waste emplacement rates and shipping rates to WIPP. Some TRU waste sites have a significant need to be top priority for shipments to WIPP, and that must be balanced with the need for all TRU waste sites to have some shipments to deplete their back-log of TRU wastes. Storage and management of TRU waste is very costly for DOE and many of those resources could be used to optimize the overall disposition of TRU waste and save DOE significant funding. In addition, the plan will show the possible transition of TRU Waste Management from primarily being an EM function to being an NNSA function in the coming years. As legacy TRU waste inventories are removed, and as NNSA mission-related TRU waste inventories are produced, DOE will be faced with deciding where the primary responsibility for TRU waste management should reside. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Service Management Database for DSN Equipment

This data- and event-driven persistent storage system leverages the use of commercial software provided by Oracle for portability, ease of maintenance, scalability, and ease of integration with embedded, client-server, and multi-tiered applications. In this role, the Service Management Database (SMDB) is a key component of the overall end-to-end process involved in the scheduling, preparation, and configuration of the Deep Space Network (DSN) equipment needed to perform the various telecommunication services the DSN provides to its customers worldwide. SMDB makes efficient use of triggers, stored procedures, queuing functions, e-mail capabilities, data management, and Java integration features provided by the Oracle relational database management system. SMDB uses a third normal form schema design that allows for simple data maintenance procedures and thin layers of integration with client applications. The software provides an integrated event logging system with ability to publish events to a JMS messaging system for synchronous and asynchronous delivery to subscribed applications. It provides a structured classification of events and application-level messages stored in database tables that are accessible by monitoring applications for real-time monitoring or for troubleshooting and analysis over historical archives.

Zendejas, Silvino↗

Field measurements of trace gases emitted by prescribed fires in southeastern U.S. pine forests using an open-path FTIR system

We report trace-gas emission factors from three pine-understory prescribed fires in South Carolina, U.S. measured during the fall of 2011. The fires were an attempt to simulate high-intensity burns and the fuels included mature pine stands not frequently subjected to prescribed fire that were lit following a sustained period of drought. In this work we focus on the emission factor measurements made using a fixed open-path gas analyzer Fourier transform infrared (FTIR) system. We compare these emission factors with those measured using a roving, point sampling, land-based FTIR and an airborne FTIR that were deployed on the same fires. We also compare to emission factors measured by a similar open-path FTIR system deployed on savanna fires in Africa. The data suggest that the method in which the smoke is sampled can strongly influence the relative abundance of the emissions that are observed. The airborne FTIR probed the bulk of the emissions, which were lofted in the convection column and the downwind chemistry while the roving ground-based point sampling FTIR measured the contribution of individual residual smoldering combustion fuel elements scattered throughout the burn site. The open-path FTIR provided a fixed path-integrated sample of emissions produced directly upwind mixed with emissions that were redirected by wind gusts, or right after ignition and before the adjacent plume achieved significant vertical development. It typically probed two distinct combustion regimes, “flaming-like” (immediately after adjacent ignition) and “smoldering-like”, denoted “early” and “late”, respectively. The calculated emission factors from open-path measurements were closer to the airborne than to the point measurements, but this could vary depending on the calculation method or from fire to fire given the changing MCE and dynamics over the duration of a typical burn. The emission factors for species whose emissions are not highly fuel dependent (e.g. CH4 and CH3OH) from all three systems can be plotted versus modified combustion efficiency and fit to a single consistent trend suggesting that differences between the systems for these species may be mainly due to the unique mix of flaming and smoldering that each system sampled. For other more fuel dependent species, the different fuels sampled also likely contributed to platform differences in emission factors. The path-integrated sample of the ground-level smoke layer adjacent to the fire provided by the open-path measurements is important for estimating fire-line exposure to smoke for wildland fire personnel. We provide a table of estimated fire-line exposures for numerous known air toxics based on synthesizing results from several studies. Our data suggest that peak exposures are more likely to challenge permissible exposure limits for wildland fire personnel than shift-average exposures.

Akagi, Sheryl↗

The Role of Competitions in Speeding Energy-Efficient Technology Development and Adoption

This conference paper, which will be submitted for publication in the 2020 ACEEE Summer Study on Energy Efficiency in Buildings, describes competition approaches used by the U.S. Department of Energy (DOE) Building Technologies Office (BTO) and other government agencies to encourage the development and adoption of innovative new energy-efficient, high-performing products while spurring external competition to maximize limited resources. The competition model helps to disrupt traditional thinking and introduce, expand, and evolve what’s possible within limited resource conditions. DOE BTO has sponsored technology competitions, including campaigns, challenges, prizes, and technology procurements to speed the uptake of more efficient refrigerators, clothes washers, air conditioners, and many types of highly efficient lighting technologies, including compact fluorescent lamps (CFLs) and light-emitting diode LED-based home and office luminaires, replacement lamps, and street lighting. In this paper, we will draw upon the technology competition frameworks employed by DOE BTO to support ongoing research and development efforts to illustrate the differences between the approaches and to identify which type is likely to be the most effective in a given technology status and market context. We’ll also share examples of the various technology competition types and results. A question-and-answer table helps readers compare and contrast the four competition types. The paper concludes with a summary of lessons learned from past DOE BTO competitions. The paper will be available in the ACEEE 2020 Summer Study proceedings and a related presentation will be given at the conference.

U.S. Department of Energy Building Technologies Of↗

Field Validation of Thermoelectric Generation System at Holcim Cement Plant in Alpena, Michigan

Executive Summary Project Background The Industrial Technology Validation (ITV) program aims to identify and demonstrate the performance of new, emerging, and underutilized energy-saving technologies in the industrial sector to help inform decisions to help accelerate their commercialization and deployment, as well as to help make industries more competitive. This ITV demonstration evaluated a thermoelectric generation (TEG) technology at a cement plant, aiming to reduce energy demand in the cement industry. A median cement plant consumes 5.73 million British thermal units per ton of clinker production (resulting in 0.838 metric tons of carbon dioxide [CO₂] emissions per ton of clinker) (Boyd and Zhang 2011, EPA 2021), equivalent to approximately 6.9 trillion British thermal units (TBtu) per year in energy consumption at a cement plant producing 3,300 tons of clinker per day.¹ Collaborating with Holcim, Advanced Thermovoltaic Systems (ATS) developed and deployed a pilot-scale thermoelectric power system to efficiently capture and convert waste heat to electricity. The system leverages the Seebeck effect to convert temperature differences on two sides of semiconductor cartridges into electrical power (ScienceDirect, n.d.). This generation is realized with minimal moving parts compared to existing waste-heat-to-generation solutions and allows capture from heat sources with temperatures as low as 150°C. This project aimed to validate a scalable solution applicable for capturing medium-temperature waste heat, including ambient losses from other high-temperature processes, and high-temperature sources less suitable for other waste-heat-to-power solutions. By recovering this otherwise wasted heat, this project intends to validate improvements to overall process efficiency through reduction in purchased electricity, thereby reducing operational costs while enhancing resiliency and competitiveness. Description and Scope This study evaluated the performance of a TEG system from ATS as a solution to convert waste heat into useful power at a Holcim cement plant in Alpena, Michigan. This plant is a fully integrated cement plant that has been operating since 1907. The facility operates continuously (24/7/365) with approximately 250 employees and five long dry kilns, yielding a total production capacity of 7,852 tons of cement per day (EPA 2023). Currently, the Alpena plant uses waste heat boilers to convert waste heat from the exhaust of each kiln into steam, which drives steam turbine generators. The ATS TEG is being evaluated for its potential to supplement the steam turbines by capturing the remaining lower grade heat. This technology is also being considered for other Holcim plants where steam turbines are not a viable option. ATS installed a pilot-scale TEG unit with an array of 582 individual thermoelectric semiconductor cartridges, of which 573 were operational. The cartridges are sandwiched between 48 hot plates and 49 cold plates. Each cartridge is designed to generate 20 watts (W) of gross power at a hot-side temperature of 240°C and cold-side temperature of 20°C. As such, the total gross generation capacity of the installed system is 11.5 kilowatts (kW) at design conditions. The system configuration for the evaluation was designed to prioritize convenience of installation and minimize disruption to production at the site, while ensuring that the heat required can be obtained for evaluating the TEG system at various operational conditions. To accomplish this, a portion of the steam supplied to Alpena’s steam turbine generation system was diverted to be used as the heat source for the TEG system, while water was supplied to the cold side of the system from nearby Lake Huron. This configuration was designed for the evaluation of the pilot-scale system to assess the performance at different conditions. A commercial-scale system will likely vary from the pilot system depending on typical configurations, including both scale and application. Future commercial applications of the ATS system would involve integrating the system into the exhaust from kiln preheaters, clinker coolers, or radiant heat capture from kiln shells for the heat source. For the cold source, a range of cooling solutions can be considered, including a mechanical cooling system, depending on the location and the application. To increase the generation capacity for commercial applications, the technology provider is working toward developing a commercial-scale TEG system, which would combine multiple TEG units (each similar in design to the pilot system) together. The scope of this evaluation includes the pilot-scale TEG system and all impacted equipment including pumps, controllers, and power handling equipment. Study Objectives The evaluation's goal was to assess the potential of the ATS TEG system to generate useful electrical power by capturing waste heat from cement production kilns. The objectives of this study are to evaluate and verify the following claims made by ATS regarding the pilot-scale system installed at the Holcim Alpena plant. The following design parameters and claims are also outlined in Table ES- 1 and Table ES- 2: • Gross Power: The thermoelectric system converts heat into power to create gross power, the total measured power generated by the system. The 573 active cartridge pilot-scale system is expected to generate 11.5 kW of gross power at the designed hot-side temperature of 240°C and cold-side temperature of 20°C. Power production is dependent on the temperature difference between the heat source (ultimately from the waste heat) and cold temperature supply source. • Net Power: The net power is the total usable power provided to the site by the TEG system after deducting parasitic power loads from the gross generated power. Supplementary equipment is required to operate the TEG system including pumps, controllers, and, in certain anticipated applications, mechanical cooling, which introduce parasitic loads to system operation. After deducting the parasitic loads from the gross power generation, ATS anticipates achieving a net power generation of 7.5 kW from the pilot-scale system. • Thermal Efficiency: The thermal efficiency is the percent of the total heat transferred to the TEG system that is converted to gross power. Historically, TEGs have a thermal efficiency of 2%–5% (DOE 2008). Prior industrial-scale TEG systems, such as the E1 TEG offered by Alphabet Energy, operated at an efficiency of 2.5% (Lamonica, 2014). ATS anticipates achieving an average efficiency of 4.8% or higher in converting heat energy to usable electricity. • Cartridge Performance: The TEG system comprises 573 active individual semiconductor cartridges, each of which generates a portion of the total power. Cartridge optimization and selection is an important design consideration for potential future TEG system design performance. Therefore, understanding the distribution of gross power and efficiency within the pilot system is vital to understanding what is achievable. At a design hot-side temperature of 240°C and cold-side temperature of 20°C, ATS anticipates a cartridge performance of 20 W of gross power per cartridge at an efficiency of 4.8% per cartridge. In addition to evaluating the claimed performance of the TEG pilot-scale unit, the study estimated the potential annual impacts of a scaled-up commercial system used to capture kiln waste heat over annual operations. The evaluation estimated the gross and net annual electric generation achievable by capturing heat from the two proposed tap-in points: the kiln exhaust and the clinker cooler exhaust; see Section 2.1 for details. Two use cases were examined: • Holcim Alpena: The Holcim Alpena site consists of long dry kilns with superheater boilers, which differs from the rest of Holcim’s cement plant portfolio and results in lower waste heat temperatures. The study estimates gross and net annual generation using the superheater boiler exhaust and clinker cooler exhaust, based on 2023 operational data. • Typical Installation: Common cement plants have preheater kilns with higher exhaust temperatures than Holcim Alpena across a range of production rates. The study estimates gross and net annual generation using the preheater exhaust and clinker cooler exhaust, with a sensitivity analysis to account for the typical range of preheater exhaust temperatures, clinker cooler exhaust temperatures, and clinker production rates. Methodology The evaluation methodology followed a measurement and verification (M&V) strategy based on the International Performance Measurement and Verification Protocol Option B through comprehensive measurements and analyses of the affected systems. Evaluation data was collected from March 9 to March 11, 2024, the test period of the pilot TEG system. During the test period, in coordination with the ITV team, the ATS team adjusted system operations to capture the range of variability expected for each of the variables pertinent to performance of the system. The methodology consisted of two parts: evaluating the performance of the pilot unit's TEG system and estimating the annual TEG impact in terms of gross and net power based on a given waste heat profile. First, the evaluation of the thermoelectric generation performance of the pilot unit relative to the claims was performed by analyzing the collected test data. Gross power of the pilot TEG system was directly measured. Net power was determined by deducting the measured parasitic power from the gross power. The gross power generation was compared to heat transferred to the system by the working fluid (which was heated by steam generated from the kiln waste heat) to calculate the thermal efficiency achieved by the system. Performance of individual semiconductor cartridges within the pilot array was also assessed in terms of measured gross cartridge power and calculated cartridge thermal efficiency. The second part of the evaluation estimated the annual TEG impacts in terms of gross power and net power (calculated from the difference between gross power and parasitic power). This analysis comprised development of mathematical regression models for gross power and parasitic power, with assessment of each model’s goodness-of-fit characteristics to ensure satisfaction of statistical requirements. The models predicted the gross power generation, the parasitic load based on the temperature difference between the hot working fluid and the cold-side fluid (cold water from Lake Huron) entering the system, the volumetric flow rate of the cold-side fluid at the inlet, and the volumetric flow rate of the hot working fluid at the inlet. The annual impact analysis considered a theoretical commercial-scale system sized to capture the available waste heat at a cement plant, consisting of linked pilot-scale units that receive heat from a theoretical gas-to-working-fluid heat exchanger. To estimate annual impacts at the Alpena plant, the gross power and parasitic power regression models were applied to the arrays in the theoretical commercial-scale system. The heat supplied to the unit was calculated based on the kiln run time, annual production, kiln exhaust waste heat, and clinker cooler waste heat derived from 2023 Holcim Alpena kiln operational data. Net power impacts were calculated by deducting the resulting parasitic power from the estimated gross power. Inputs for the model were generated from a combination of hourly data, assumed design considerations for TEG system scale-up from the pilot-scale unit, and assumptions regarding TEG system operations. This analysis was then used as the basis for estimating annual impacts of typical TEG installation at cement plants, by applying sensitivity analyses to key kiln operational characteristics including kiln preheater exhaust temperatures, cooler clinker exhaust temperatures, and plant daily production rates across a range of expected values. Project Results/Findings Table ES- 2 and Table ES- 2 provide a summary of the operating conditions and evaluation results compared to the stated claims from the technology provider. Key takeaways include: • Gross Power: The peak gross power achieved during the testing period was 10.0 kW, compared to the 11.5 kW expected for 573 active cartridges. The claimed gross power was associated with a target hot side of 240°C; however, the system only received a maximum hot-side mean plate temperature of 212°C during the testing period. • Net Power: The pilot-scale unit exceeded the claims for net power, achieving a peak of 7.7 kW net compared to a claim of 7.5 kW. One factor contributing to the higher achieved net power is the relatively high water pressure available through Lake Huron. The pilot TEG system did not require cold-side pumps during the test, whereas most installations would. This reduced the parasitic loads on the system, ultimately contributing to higher net power relative to the gross power. • Thermal Efficiency: The pilot-scale unit outperformed the claimed efficiency, achieving a peak system efficiency of 5.0% thermal efficiency compared to the stated 4.8%. • Cartridge Performance: To compare cartridge performance against claims, the study focused on the third day of testing, which aimed for conditions closest to the design specifications, with a hot side of 240°C and cold-side exit temperature of 6.4°–30°C. On this day, the mean gross power observed in the cartridges within the TEG array was 18.1 W/cartridge, and the peak performance was 34.7 W/cartridge. The estimated mean cartridge efficiency was 5.2%, and the estimated efficiency at peak gross cartridge power was 10%. The regression models developed for gross power generation and parasitic loads were used to estimate the generation impact for given heat input to the TEG from the working fluid (captured from the waste heat) and from the cold loop (Lake Huron) on an hourly basis for a year of operation. Based on this analysis, installation of a commercial-scale TEG system at the Holcim cement plant in Alpena, Michigan, with a waste heat exchanger of 0.85 effectiveness, would generate up to 391 kW of net power, translating to between 920,000 and 1,800,000 kilowatt-hours (kWh) in net electricity per year. Based on typical grid emissions for Alpena, this would avoid estimated net emissions by 752 metric tons of CO₂ annually.² The sensitivity analysis estimated that typical TEG system installations at cement plants could generate an average of 56–1,040 kW of net power, or between 488,000 and 9,110,000 kWh of net energy. This generation potential is most significantly affected by plant production rates and also influenced by preheater and clinker cooler exhaust temperatures. Applying the national average emission rate, typical commercial-scale installations at Holcim plants are projected to avoid between 182 and 3,401 metric tons of CO₂ annually per site. Table ES- 3 shows a summary of the estimated annual impacts.³ While parasitic loads are significant and vary by application, this analysis assumed the use of heating loop pumps and access to Lake Huron as a cold sink. This setup assumed no need for cooling loop pumps due to the available water pressure at the test site. Applications that require cooling towers or additional equipment are likely to experience higher parasitic loads. Therefore, the study’s estimates are most applicable to scenarios with similar parasitic load configurations—namely, access to a high-pressure cold sink. Applicability to other locations may be limited, as differing conditions could necessitate additional pumps and cooling systems, potentially impacting performance significantly.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning

Here, we develop a computational database, website applications (web-apps), and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D) heterostructures. Using density functional theory (DFT) based lattice parameters and electronic band energies for 674 nonmetallic exfoliable 2D materials, we generate 226 779 possible bilayer heterostructures. We classify these heterostructures into type-I, -II, and -III systems according to Anderson’s rule, which is based on the relative band alignments of the noninteracting monolayers. We find that type II is the most common and type III the least common heterostructure type. We subsequently analyze the chemical trends for each heterostructure type in terms of the Periodic Table of constituent elements. The band alignment data can also be used for identifying photocatalysts and high-work-function 2D metals for contacts. We validate our results by comparing them to experimental data as well as hybrid-functional predictions. Additionally, we carry out DFT calculations of a few selected systems (MoS 2 /WSe 2 , MoS 2 /h-BN, and MoSe 2 /CrI 3 ), to compare the band-alignment description with the predictions from Anderson’s rule. We develop web-apps to enable users to virtually create combinations of 2D materials and predict their properties. Additionally, we use ML tools to predict band-alignment information for 2D materials. The web-apps, tools, and associated data will be distributed through the JARVIS-HETEROSTRUCTURE website. Our analysis, results, and the developed web-apps can be applied to the screening and design applications, such as finding alternative photocatalysts, photodetectors, and high-work-function (WF) 2D-metal contacts.

2-dimensional systems↗

Historical Domestic Flights from 2016-2020 with Estimations of Greenhouse Gas Emissions by Aircraft Type

Data and analyses are presented on the utilization of aircraft fuel in the U.S. and the greenhouse gas emissions that they create. Aggregated commercial passenger and freight aviation flight data from 2016-2020 is captured from the Bureau of Transportation Statistics website is used to augment flight data from the Sherlock data warehouse at NASA Ames is used to determine the miles flown by major aircraft models. The corresponding fuel burn is estimated using the International Civilian Aviation Organization fuel burn tables and carbon dioxide emissions are calculated using a fuel-burn multiplicative factor. One key conclusion of this analysis is that long haul flights (i.e. >2485 statute miles) create a disproportionately large amount of carbon dioxide emissions in the U.S while short flights (i.e. < 311 statute miles) contribute less than five percent of the U.S. aviation-related carbon dioxide emission. Although these short-haul flights may not have a large impact on overall carbon dioxide emissions, they will be a critical entry point for the adoption of future, larger fuel-efficient novel vehicles and the impact to future airport and infrastructure requirements. The final paper will present some estimates of the impact of advanced technologies on fuel burn and CO₂ emissions in various scenarios.

Susie Go↗