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Transportation Energy Data Book: Edition 35

The Transportation Energy Data Book: Edition 35 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity, and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available to a larger audience via the Internet (cta.ornl.gov/data). This edition of the Data Book has 12 chapters which focus on various aspects of the transportation industry. Chapter 1 focuses on petroleum; Chapter 2 energy; Chapter 3 highway vehicles; Chapter 4 light vehicles; Chapter 5 heavy vehicles; Chapter 6 alternative fuel vehicles; Chapter 7 fleet vehicles; Chapter 8 household vehicles; Chapter 9 nonhighway modes; Chapter 10 transportation and the economy; Chapter 11 greenhouse gas emissions; and Chapter 12 criteria pollutant emissions. The sources used represent the latest available data. There are also three appendices which include detailed source information for some tables, measures of conversion, and the definition of Census divisions and regions. A glossary of terms and a title index are also included for the reader s convenience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Transportation Energy Data Book: Edition 36

The Transportation Energy Data Book: Edition 36 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity, and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available via the Internet (cta.ornl.gov/data). This edition of the Data Book has 12 chapters which focus on various aspects of the transportation industry. Chapter 1 focuses on petroleum; Chapter 2 – energy; Chapter 3 – highway vehicles; Chapter 4 – light vehicles; Chapter 5 – heavy vehicles; Chapter 6 – alternative fuel vehicles; Chapter 7 – fleet vehicles; Chapter 8 – household vehicles; Chapter 9 – nonhighway modes; Chapter 10 – transportation and the economy; Chapter 11 – greenhouse gas emissions; and Chapter 12 – criteria pollutant emissions. The sources used represent the latest available data. There are also three appendices which include detailed source information for some tables, measures of conversion, and the definition of Census divisions and regions. A glossary of terms is also included for the reader’s convenience.

33 ADVANCED PROPULSION SYSTEMS↗

Transportation Energy Data Book: Edition 37

The Transportation Energy Data Book: Edition 37 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity, and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available via the Internet (cta.ornl.gov/data).This edition of the Data Book has 12 chapters which focus on various aspects of the transportation industry. Chapter 1 focuses on petroleum; Chapter 2 – energy; Chapter 3 – highway vehicles; Chapter 4 – light vehicles; Chapter 5 – heavy vehicles; Chapter 6 – alternative fuel vehicles; Chapter 7 – fleet vehicles; Chapter 8 – household vehicles; Chapter 9 – nonhighway modes; Chapter 10 – transportation and the economy; Chapter 11 – greenhouse gas emissions; and Chapter 12 – criteria pollutant emissions. The sources used represent the latest available data. There are also two appendices which include detailed source information for some tables and measures of conversion. A glossary of terms is also included for the reader’s convenience.

33 ADVANCED PROPULSION SYSTEMS↗

Transportation Energy Data Book: Edition 38

The Transportation Energy Data Book: Edition 38 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity, and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available via the Internet. This edition of the Data Book has 13 chapters which focus on various aspects of the transportation industry. Chapter 1 - focuses on petroleum; Chapter 2 - energy; Chapter 3 - highway vehicles; Chapter 4 - light vehicles; Chapter 5 - heavy vehicles; Chapter 6 - alternative fuel vehicles; Chapter 7 - transit and shared mobility; Chapter 8 - fleet vehicles; Chapter 9 - household vehicles; Chapter 10 - nonhighway modes; Chapter 11 - transportation and the economy; Chapter 12 - greenhouse gas emissions; and Chapter 13 - criteria pollutant emissions. The sources used represent the latest available data. There are also three appendices which include detailed source information for some tables, measures of conversion, and energy tables and figures with electricity generation and distribution taken into account. A glossary of terms is also included for the reader’s convenience.

02 PETROLEUM↗

Transportation Energy Data Book: Edition 39

The Transportation Energy Data Book: Edition 39 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available via the Internet (tedb.ornl.gov).This edition of the Data Book has 13 chapters which focus on various aspects of the transportation industry. Chapter 1 focuses on petroleum; Chapter 2 – energy; Chapter 3 – highway vehicles; Chapter 4 – light vehicles; Chapter 5 – heavy vehicles; Chapter 6 – alternative fuel vehicles; Chapter 7 – transit and other shared mobility; Chapter 8 – fleet vehicles; Chapter 9 – household vehicles; Chapter 10 – nonhighway modes; Chapter 11 – transportation and the economy; Chapter 12 – greenhouse gas emissions; and Chapter 13 – criteria pollutant emissions. The sources used represent the latest available data. There are also three appendices which include detailed source information for some tables, measures of conversion, and energy tables with electricity generation and distribution. A glossary of terms is also included for the reader’s convenience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Transportation Energy Data Book (Edition 40)

The Transportation Energy Data Book: Edition 40 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available via the Internet (tedb.ornl.gov).This edition of the Data Book has 13 chapters which focus on various aspects of the transportation industry. Chapter 1 focuses on petroleum; Chapter 2 – energy; Chapter 3 – highway vehicles; Chapter 4 – light vehicles; Chapter 5 – heavy vehicles; Chapter 6 – alternative fuel vehicles; Chapter 7 – transit and other shared mobility; Chapter 8 – fleet vehicles; Chapter 9 – household vehicles; Chapter 10 – nonhighway modes; Chapter 11 – transportation and the economy; Chapter 12 – greenhouse gas emissions; and Chapter 13 – criteria pollutant emissions. The sources used represent the latest available data. There are also two appendices which include detailed source information for some tables and measures of conversion. A glossary of terms is also included for the reader’s convenience.

02 PETROLEUM↗

Challenges of Theoretical Spectroscopy of Heavy and Superheavy Atoms and Ions

A review of methods of efficient accounting for correlation and relativistic effects is presented. A considerable part of efforts for these approaches must be devoted to coping with integrations over spin-angular variables, occurring in the matrix elements of the operators under consideration. Efficient methods to find the abovementioned quantities are described, based on the use of symmetry properties of operators and matrix elements in three spaces (orbital, spin and quasispin), on second quantization in coupled tensorial form, and on graphical technique. This allows to study and to generate fairly accurate their spectroscopic data practically for any atom and ion of periodical table.

74 ATOMIC AND MOLECULAR PHYSICS↗

Tailor : Altering Skip Connections for Resource-Efficient Inference

Deep neural networks use skip connections to improve training convergence. However, these skip connections are costly in hardware, requiring extra buffers and increasing on- and off-chip memory utilization and bandwidth requirements. In this article, we show that skip connections can be optimized for hardware when tackled with a hardware-software codesign approach. We argue that while a network’s skip connections are needed for the network to learn, they can later be removed or shortened to provide a more hardware-efficient implementation with minimal to no accuracy loss. We introduceTailor, a codesign tool whose hardware-aware training algorithm gradually removes or shortens a fully trained network’s skip connections to lower the hardware cost.Tailorimproves resource utilization by up to 34% for block random access memories (BRAMs), 13% for flip-flops (FFs), and 16% for look-up tables (LUTs) for on-chip, dataflow-style architectures.Tailorincreases performance by 30% and reduces memory bandwidth by 45% for a two-dimensional processing element array architecture.

Computer Science↗

Improving the efficiency of configurational-bias Monte Carlo: A density-guided method for generating bending angle trials for linear and branched molecules

A new method has been developed to generate bending angle trials to improve the acceptance rate and the speed of configurational-bias Monte Carlo. Whereas traditionally the trial geometries are generated from a uniform distribution, in this method we attempt to use the exact probability density function so that each geometry generated is likely to be accepted. In actual practice, due to the complexity of this probability density function, a numerical representation of this distribution function would be required. This numerical table can be generated a priori from the distribution function. This method has been tested on a united-atom model of alkanes including propane, 2-methylpropane, and 2,2-dimethylpropane, that are good representatives of both linear and branched molecules. It has been shown from these test cases that reasonable approximations can be made especially for the highly branched molecules to reduce drastically the dimensionality and correspondingly the amount of the tabulated data that is needed to be stored. Despite these approximations, the dependencies between the various geometrical variables can be still well considered, as evident from a nearly perfect acceptance rate achieved. For all cases, the bending angles were shown to be sampled correctly by this method with an acceptance rate of at least 96% for 2,2-dimethylpropane to more than 99% for propane. Since only one trial is required to be generated for each bending angle (instead of thousands of trials required by the conventional algorithm), this method can dramatically reduce the simulation time. The profiling results of our Monte Carlo simulation code show that trial generation, which used to be the most time consuming process, is no longer the time dominating component of the simulation.

2-2-DIMETHYLPROPANE↗

Polarity governs atomic interaction through two-dimensional materials

The objective of this project is to develop two-dimensional material-based layer transfer (2DLT) for high-efficiency, low-cost III-V solar cells. More specifically, in short term, the team will develop 2DLT for cost-cost, high-throughput GaAs single-junction solar cells. The team will develop ultraclean high yield graphene transfer on GaAs and optimize the remote homoepitaxy process to obtain dislocation-free single-crystalline GaAs on graphene whose crystalline quality is identical to that of the GaAs wafer [1,2]. The team will develop the 2DLT process for a solar cell with highest achievable efficiency. The team will also strive to target GaAs solar cells with efficiency of 25~29% before and after the transfer, and reuse the substrate multiple times without CMP by damage-free transfer process enabled by 2DLT. Our team is partnered with industrial collaborators to obtain World record efficiency of flexible GaAs solar cells. Once the concept is fully realized for the GaAs solar cells, the team will expand the concept for multiple-junction solar cell targeting 35% efficiency with the 2DLT process in other projects.

36 MATERIALS SCIENCE↗

Better Buildings Neighborhood Program Single-Family Home Upgrade Project Dataset

Building project data for 75,110 single-family homes upgraded between July 1, 2010, and September 30, 2013 from the Better Building Neighborhood Program. This dataset includes a documentation file and three data tables. Reported data for some elements have been transformed and data for some upgraded homes have been omitted to protect privacy. See documentation file for details.

ARRA↗

Calculations of two new dose metrics proposed by AAPM Task Group 111 using the measurements with standard CT dosimetry phantoms

Purpose: AAPM Task Group 111 proposed to measure the equilibrium dose-pitch product D-caret{sub eq} for scan modes involving table translation and the midpoint dose D{sub L}(0) for stationary-table modes on the central and peripheral axes of sufficiently long (e.g., at least 40 cm) phantoms. This paper presents an alternative approach to calculate both metrics using the measurements of scanning the standard computed tomographic (CT) dosimetry phantoms on CT scanners.Methods: D-caret{sub eq} was calculated from CTDI{sub 100} and ε(CTDI{sub 100}) (CTDI{sub 100} efficiency), and D{sub L}(0) was calculated from D-caret{sub eq} and the approach to equilibrium function H(L) =D{sub L}(0)/D{sub eq}, where D{sub eq} was the equilibrium dose. CTDI{sub 100} may be directly obtained from several sources (such as medical physicist's CT scanner performance evaluation or the IMPACT CT patient dosimetry calculator), or be derived from CTDI{sub Vol} using the central to peripheral CTDI{sub 100} ratio (R{sub 100}). The authors have provided the required ε(CTDI{sub 100}) and H(L) data in two previous papers [X. Li, D. Zhang, and B. Liu, Med. Phys. 39, 901–905 (2012); and ibid. 40, 031903 (10pp.) (2013)]. R{sub 100} was assessed for a series of GE, Siemens, Philips, and Toshiba CT scanners with multiple settings of scan field of view, tube voltage, and bowtie filter.Results: The calculated D{sub L}(0) and D{sub L}(0)/D{sub eq} in PMMA and water cylinders were consistent with the measurements on two GE CT scanners (LightSpeed 16 and VCT) by Dixon and Ballard [Med. Phys. 34, 3399–3413 (2007)], the measurements on a Siemens CT scanner (SOMATOM Spirit Power) by Descamps et al. [J. Appl. Clin. Med. Phys. 13, 293–302 (2012)], and the Monte Carlo simulations by Boone [Med. Phys. 36, 4547–4554 (2009)].Conclusions: D-caret{sub eq} and D{sub L}(0) can be calculated using the alternative approach. The authors have provided the required ε(CTDI{sub 100}) and H(L) data in two previous papers. R{sub 100} is presented for a majority of multidetector CT scanners currently on the market, and can be easily assessed for other CT scanners or operating conditions not covered in this study. The central to peripheral D{sub eq} ratio is about 1.50 and 1.12 times of R{sub 100} for the 32- and 16-cm diameter PMMA phantom, respectively.

61 RADIATION PROTECTION AND DOSIMETRY↗

Innovation 101: The story behind the invention of DNATrax

Lawrence Livermore researcher George Farquar shares the story behind the invention of DNATrax, a cost-effective and highly efficient method to accurately trace contaminated food back to its source. Foodborne illnesses kill roughly 3,000 Americans each year and about 1 in 6 are sickened, according to the Centers for Disease Control and Prevention. Yet most contaminated foods are never traced back to their source. That’s because existing methods to track tainted food following its supply chain from table to farm are highly inefficient, jeopardizing the health of millions and costing the food industry billions. A typical process to trace food includes interviewing consumers and suppliers and examining every detail of the supply chain, a tedious method that takes weeks at best to complete.

59 BASIC BIOLOGICAL SCIENCES↗

Comparison of the Accuracy and Speed of Transient Mobile A/C System Simulation Models: Preprint

The operation of air conditioning (A/C) systems is a significant contributor to the total amount of fuel used by light- and heavy-duty vehicles. Therefore, continued improvement of the efficiency of these mobile A/C systems is important. Numerical simulation has been used to reduce the system development time and to improve the electronic controls, but numerical models that include highly detailed physics run slower than desired for carrying out vehicle-focused drive cycle-based system optimization. Therefore, faster models are needed even if some accuracy is sacrificed. In this study, a validated model with highly detailed physics, the 'Fully-Detailed' model, and two models with different levels of simplification, the 'Quasi-Transient' and the 'Mapped- Component' models, are compared. The Quasi-Transient model applies some simplifications compared to the Fully-Detailed model to allow faster model execution speeds. The Mapped-Component model is similar to the Quasi-Transient model except instead of detailed flow and heat transfer calculations in the heat exchangers, it uses lookup tables created with the Quasi-Transient model. All three models are set up to represent the same physical A/C system and the same electronic controls. Speed and results of the three model versions are compared for steady state and transient operation. Steady state simulated data are also compared to measured data. The results show that the Quasi-Transient and Mapped-Component models ran much faster than the Fully-Detailed model, on the order of 10- and 100-fold, respectively. They also adequately approach the results of the Fully-Detailed model for steady-state operation, and for drive cycle-based efficiency predictions

02 PETROLEUM↗

Learning in continuous action space for developing high dimensional potential energy models

Reinforcement learning (RL) approaches that combine a tree search with deep learning have found remarkable success in searching exorbitantly large, albeit discrete action spaces, as in chess, Shogi and Go. Many real-world materials discovery and design applications, however, involve multi-dimensional search problems and learning domains that have continuous action spaces. Exploring high-dimensional potential energy models of materials is an example. Traditionally, these searches are time consuming (often several years for a single bulk system) and driven by human intuition and/or expertise and more recently by global/local optimization searches that have issues with convergence and/or do not scale well with the search dimensionality. Here, in a departure from discrete action and other gradient-based approaches, we introduce a RL strategy based on decision trees that incorporates modified rewards for improved exploration, efficient sampling during playouts and a “window scaling scheme" for enhanced exploitation, to enable efficient and scalable search for continuous action space problems. Using high-dimensional artificial landscapes and control RL problems, we successfully benchmark our approach against popular global optimization schemes and state of the art policy gradient methods, respectively. We demonstrate its efficacy to parameterize potential models (physics based and high-dimensional neural networks) for 54 different elemental systems across the periodic table as well as alloys. We analyze error trends across different elements in the latent space and trace their origin to elemental structural diversity and the smoothness of the element energy surface. Broadly, our RL strategy will be applicable to many other physical science problems involving search over continuous action spaces.

36 MATERIALS SCIENCE↗

In-situ data collection at the photon factory macromolecular crystallography beamlines

Crystallization trial is one of the most important but time-consuming steps in macromolecular crystallography, and in-situ diffraction experiment has a capability to make researchers to proceed this step more efficiently. At the Photon Factory, a new tabletop diffractometer for in-situ diffraction experiments has been developed. It consists of XYZ translation stages with a plate handler, an on-axis viewing system and a plate rack with a capacity for ten crystallization plates. These components sit on a common plate and are able to be placed on the existing diffractometer table. The CCD detector with a large active area and a pixel array detector with a small active area are used for acquiring diffraction images from crystals. Dedicated control software and a user interface have also been developed. The new diffractometer has been operational for users and used for evaluation of crystallization screening since 2014.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The IAEA Coordinated Research Program on HTGR Uncertainty Analysis: Phase I Status and Initial Results

The continued development of High Temperature Gas Cooled Reactors (HTGRs) requires verification of HTGR design and safety features with reliable high fidelity physics models and robust, efficient, and accurate codes. One way to address the uncertainties in the HTGR analysis tools is to assess the sensitivity of critical parameters (such as the calculated maximum fuel temperature during loss of coolant accidents) to a few important input uncertainties. The input parameters were identified by engineering judgement in the past but are today typically based on a Phenomena Identification Ranking Table (PIRT) process. The input parameters can also be derived from sensitivity studies and are then varied in the analysis to find a spread in the parameter of importance. However, there is often no easy way to compensate for these uncertainties. In engineering system design, a common approach for addressing performance uncertainties is to add compensating margins to the system, but with passive properties credited it is not so clear how to apply it in the case of modular HTGR heat removal path. Other more sophisticated uncertainty modelling approaches, including Monte Carlo analysis, have also been proposed and applied. Ideally one wishes to apply a more fundamental approach to determine the predictive capability and accuracies of coupled neutronics/thermal-hydraulics and depletion simulations used for reactor design and safety assessment. Today there is a broader acceptance of the use of uncertainty analysis even in safety studies, and it has been accepted by regulators in some cases to replace the traditional conservative analysis. Therefore some safety analysis calculations may use a mixture of these approaches for different parameters depending upon the particular requirements of the analysis problem involved. Sensitivity analysis can for example be used to provide information as part of an uncertainty analysis to determine best estimate plus uncertainty results to the required confidence level. In order to address uncertainty propagation in analysis and methods in the HTGR community the IAEA initiated a Coordinated Research Project (CRP) on the HTGR Uncertainty Analysis in Modelling (UAM) that officially started in 2013. Although this project focuses specifically on the peculiarities of HTGR designs and its simulation requirements, many lessons can be learned from the LWR community and the significant progress already made towards a consistent methodology uncertainty analysis. In the case of LWRs the NRC has already in 1988 amended 10 CFR 50.46 to allow best-estimate (plus uncertainties) calculations of emergency core cooling system performance. The Nuclear Energy Agency (NEA) of the Organization for Economic Co-operation and Development (OECD) also established an Expert Group on "Uncertainty Analysis in Modelling" which finally led to the definition of the "Benchmark for Uncertainty Analysis in Modelling (UAM) for Design, Operation and Safety Analysis of LWRs". The CRP on HTGR UAM will follow as far as possible the on-going OECD Light Water Reactor UAM benchmark activity.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Athena: High-Performance Sparse Tensor Contraction Sequence on Heterogeneous Memory

Sparse tensor contraction sequence has been widely employed in many fields, such as chemistry and physics. However, how to efficiently implement the sequence faces multiple challenges, such as redundant computations and memory operations, massive memory consumption, and inefficient utilization of hardware. To address the above challenges, we introduce Athena, a high-performance framework for SpTC sequences. Athena introduces new data structures, leverages emerging Optane-based heterogeneous memory (HM) architecture, and stage parallelism. In particular, Athena introduces shared hash table-represented sparse accumulator to eliminate unnecessary input processing and data migration; Athena uses a novel data-semantic guided dynamic migration solution to make the best use of the Optane-based HM for high performance; Athena also co-runs execution phases with different characteristics to enable high hardware utilization. Evaluating with 12 datasets, we show that Athena brings 327-7362× speedup over the state-of-the-art SpTC algorithm. With the dynamic data placement guided by data semantics, Athena brings performance improvement on Optane-based HM over a state-of-the-art software-based data management solution, a hardware-based data management solution, and PMM-only by 1.58×, 1.82×, and 2.34× respectively.

Liu, Jiawen↗