Drop-Tower Impactor Test Methodology and Equipment for Moderate Strain Rate Testing with Energy Accounting
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36 MATERIALS SCIENCE↗
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TOWARD A COMPLETE ACCOUNTING OF ENERGY AND MOMENTUM FROM STELLAR FEEDBACK IN GALAXY FORMATION SIMULATIONS
We investigate the momentum and energy budget of stellar feedback during different stages of stellar evolution, and study its impact on the interstellar medium (ISM) using simulations of local star-forming regions and galactic disks at the resolution affordable in modern cosmological zoom-in simulations. In particular, we present a novel subgrid model for the momentum injection due to radiation pressure and stellar winds from massive stars during early, pre-supernova (pre-SN) evolutionary stages of young star clusters. Early injection of momentum acts to clear out dense gas in star-forming regions, hence limiting star formation. The reduced gas density mitigates radiative losses of thermal feedback energy from subsequent SN explosions. The detailed impact of stellar feedback depends sensitively on the implementation and choice of parameters. Somewhat encouragingly, we find that implementations in which feedback is efficient lead to approximate self-regulation of the global star formation efficiency. We compare simulation results using our feedback implementation to other phenomenological feedback methods, where thermal feedback energy is allowed to dissipate over timescales longer than the formal gas cooling time. We find that simulations with maximal momentum injection suppress star formation to a similar degree as is found in simulations adopting adiabatic thermal feedback. However, different feedback schemes are found to produce significant differences in the density and thermodynamic structure of the ISM, and are hence expected to have a qualitatively different impact on galaxy evolution.
79 ASTRONOMY AND ASTROPHYSICS↗
Energy Upgrades at City-Owned Facilities: Understanding Accounting for Energy Efficiency Financing Options. City of Dubuque Case Study
The city of Dubuque, Iowa, aimed for a twofer — lower energy costs for public facilities and reduced air emissions. To achieve that goal, the city partnered with the Iowa Economic Development Authority to establish a revolving loan fund to finance energy efficiency and other energy projects at city facilities. But the city needed to understand approaches for financing energy projects to achieve both of their goals in a manner that would not be considered debt — in this case, obligations booked as a liability on the city’s balance sheet. With funding from the U.S. Department of Energy’s Climate Action Champions Initiative, Lawrence Berkeley National Laboratory (Berkeley Lab) provided technical assistance to the city to identify strategies to achieve these goals. Revolving loans use a source of money to fund initial cost-saving projects, such as energy efficiency investments, then use the repayments and interest from these loans to support subsequent projects. Berkeley Lab and the city examined two approaches to explore whether revolving loans could potentially be treated as non-debt: 1) financing arrangements containing a non-appropriation clause and 2) shared savings agreements. This fact sheet discusses both, including considerations that may factor into their treatment as debt from an accounting perspective.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
RouteE: A Vehicle Energy Consumption Prediction Engine
The emergence of connected and automated vehicles and smart cities technologies create the opportunity for new mobility modes and routing decision tools, among many others. To achieve maximum mobility and minimum energy consumption, it is critical to understand the energy cost of decisions and optimize accordingly. The Route Energy prediction model (RouteE) enables accurate estimation of energy consumption for a variety of vehicle types over trips or sub-trips where detailed drive cycle data are unavailable. Applications include vehicle route selection, energy accounting and optimization in transportation simulation, and corridor energy analyses, among others. The software is a Python package that includes a variety of pre-trained models from the National Renewable Energy Laboratory (NREL). However, RouteE also enables users to train custom models using their own data sets, making it a robust and valuable tool for both fast calculations and rigorous, data-rich research efforts. The pre-trained RouteE models are established using NREL’s Future Automotive Systems Technology Simulator paired with approximately 1 million miles of drive cycle data from the Transportation Secure Data Center, resulting in energy consumption behavior estimates over a representative sample of driving conditions for the United States. Validations have been performed using on-road fuel consumption data for conventional and electrified vehicle powertrains. Transferring the results of the on-road validation to a larger set of real-world origin-destination pairs, it is estimated that implementing the present methodology in a green-routing application would accurately select the route that consumes the least fuel 90% of the time. The novel machine learning techniques used in RouteE make it a flexible and robust tool for a variety of transportation applications.
33 ADVANCED PROPULSION SYSTEMS↗
Vehicle Technologies Program Government Performance and Results Act (GPRA) Report for Fiscal Year 2012
The U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy has defined milestones for its Vehicle Technologies Program (VTP). This report provides estimates of the benefits that would accrue from achieving these milestones relative to a base case that represents a future in which there is no VTP-supported vehicle technology development. Improvements in the fuel economy and reductions in the cost of light- and heavy-duty vehicles were estimated by using Argonne National Laboratory's Autonomie powertrain simulation software and doing some additional analysis. Argonne also estimated the fraction of the fuel economy improvements that were attributable to VTP-supported development in four "subsystem" technology areas: batteries and electric drives, advanced combustion engines, fuels and lubricants, and materials (i.e., reducing vehicle mass, called "lightweighting"). Oak Ridge National Laboratory's MA 3 T (Market Acceptance of Advanced Automotive Technologies) tool was used to project the market penetration of light-duty vehicles, and TA Engineering's TRUCK tool was used to project the penetrations of medium- and heavy-duty trucks. Argonne's VISION transportation energy accounting model was used to estimate total fuel savings, reductions in primary energy consumption, and reductions in greenhouse gas emissions that would result from achieving VTP milestones. These projections indicate that by 2030, the on-road fuel economy of both light- and heavy-duty vehicles would improve by more than 20%, and that this positive impact would be accompanied by a reduction in oil consumption of nearly 2 million barrels per day and a reduction in greenhouse gas emissions of more than 300 million metric tons of CO 2 equivalent per year. These benefits would have a significant economic value in the U.S. transportation sector and reduce its dependency on oil and its vulnerability to oil price shocks.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Energy Emissions Accounting Methods Can Determine Whether Direct Air Capture with Storage Achieves Net Removal
The voluntary carbon market within the United States has expanded rapidly in recent years and enabled private companies and other organizations to provide revenue streams to carbon dioxide removal (CDR) technologies. For a CDR technology to participate in the voluntary carbon market (VCM), the emissions associated with constructing and operating the technology must be less than the CO 2 captured from the atmosphere. Assessing the extent to which this is true for direct air capture with storage (DACS), a relatively energy-intensive CDR technology, strongly depends on the accounting method used to assess the emissions intensity of purchased energy. We simulate the hourly weather-dependent operation of sorbent- and solvent-based DACS in California, Louisiana, Texas, and Wyoming, representing a wide range of local weather and electric and natural gas grid compositions. In all cases, the single most important emissions accounting decision is the method used to estimate the emissions intensity of purchased grid electricity, which varies the calculated net removal by −1049% to +108%. All other factors influencing net removal introduce a variation of at most ±14%. No electricity emissions accounting method is universally conservative across all scenarios, and none is objectively more accurate. High-spatiotemporal-resolution, high-quality, publicly available data sets and models for electricity emissions accounting do not currently exist and are urgently needed to enable standardization of emissions accounting methods to more accurately determine the true emissions impacts of DACS and other energy-intensive facilities.
54 ENVIRONMENTAL SCIENCES↗
Atomically Precise Membranes for the Separation of Gases
Industrial separations require enormous amounts of energy, accounting for approximately half the industrial energy use and 10–15% of the total energy consumption. Distillation alone accounts for about half the energy demand for industrial separations. If these processes could be replaced by an energy-efficient membrane separation process, this energy demand could be reduced by 90%. However, although some membrane processes have made inroads into thermal distillation, for membrane-based separations to replace the distillation process to a far more significant and practical level, new membranes with higher robustness, selectivity, and flux still need be developed. In this membrane development program, we leveraged Temple University’s prior work in spiroligomers to develop robust membrane structures. These structures can be formed into atomically precise pores by controlling the chemical synthesis and the oligomer building blocks to first build precisely controlled macrocycles and then subsequently crosslinking these macrocycles to produce a membrane. Furthermore, through the highly controllable chemistry of our molecular building blocks, not only can we integrate pores with highly controllable and reproducible size and morphology, but we can also target internal functionalization. By using a range of scalable membrane synthesis approaches, combined with control of each and every pores internal chemistry and molecular conformation we can achieve membrane structures that can display the ultimate in high selectivity and permeance. The Mainstream-Temple University membranes can be designed to achieve ultra-selective separations based on the key factors of molecular size, shape, and functionality. In our approach to fabricate scalable atomically precise membranes, we used our molecular Lego nanostructures. We demonstrated an approach to create atomically precise pores within the membrane with pores that are the dimensions of the molecule we are trying to separate. Moreover, in addition to controlling the morphology of the membrane structure by controlling the size of every pore, we can also decorate every pore with precisely targeted and placed functional groups. These accurately placed functional groups can provide selective binding to molecules and provide enhanced selectivity via a facilitated transport mechanism. In Phase II, the Mainstream-Temple University team demonstrated the scalable synthesis of oligomers and the ability to control the pore internal and external functionality, or chemistry, to allow the fabrication of a thin-film membrane. The initial steps of the spiroligomer synthesis to produce the two key bis-amino enantiomer building blocks were scaled from the gram scale to the kilogram scale, obtaining 25 kg of the materials by transferring the procedure to a toll manufacturer. Finally, we successfully optimized the fabrication of these macrocycles into robust membranes. We successfully transitioned from a laboratory based, hard-to-scale Langmuir trough synthesis to a highly scalable, roll-to-roll applicable, interfacial polymerization process. During this Phase II program, we established a platform of atomically precise membranes where our highly controllable, atomically precise macrocycles served as a scaffold with precisely and uniformly controlled pores. Furthermore, this layer can be tailored to accommodate a diverse range of functional groups, which both further controlled the pore size to enhance the sieving effect as well as imparting precisely controlled targeted selectivity through biomimetic molecular interactions. In this Phase II, we established and scaled up a platform approach to both tune the pore size and chemistry as well as scale it to produce membranes that can be applied to a wide range of industries. In future development, the project team expects to scale up both the macrocycle building block production and interfacial polymerization process to produce the atomically precise membrane with targeted pore sizes and pore chemistries.
36 MATERIALS SCIENCE↗
A Monte Carlo investigation of low-Z target image quality generated in a linear accelerator using Varian's VirtuaLinac
Purpose: The focus of this work was the demonstration and validation of VirtuaLinac with clinical photon beams and to investigate the implementation of low-Z targets in a TrueBeam linear accelerator (Linac) using Monte Carlo modeling. Methods: VirtuaLinac, a cloud based web application utilizing Geant4 Monte Carlo code, was used to model the Linac treatment head components. Particles were propagated through the lower portion of the treatment head using BEAMnrc. Dose distributions and spectral distributions were calculated using DOSXYZnrc and BEAMdp, respectively. For validation, 6 MV flattened and flattening filter free (FFF) photon beams were generated and compared to measurement for square fields, 10 and 40 cm wide and at d{sub max} for diagonal profiles. Two low-Z targets were investigated: a 2.35 MeV carbon target and the proposed 2.50 MeV commercial imaging target for the TrueBeam platform. A 2.35 MeV carbon target was also simulated in a 2100EX Clinac using BEAMnrc. Contrast simulations were made by scoring the dose in the phosphor layer of an IDU20 aSi detector after propagating through a 4 or 20 cm thick phantom composed of water and ICRP bone. Results: Measured and modeled depth dose curves for 6 MV flattened and FFF beams agree within 1% for 98.3% of points at depths greater than 0.85 cm. Ninety three percent or greater of points analyzed for the diagonal profiles had a gamma value less than one for the criteria of 1.5 mm and 1.5%. The two low-Z target photon spectra produced in TrueBeam are harder than that from the carbon target in the Clinac. Percent dose at depth 10 cm is greater by 3.6% and 8.9%; the fraction of photons in the diagnostic energy range (25–150 keV) is lower by 10% and 28%; and contrasts are lower by factors of 1.1 and 1.4 (4 cm thick phantom) and 1.03 and 1.4 (20 cm thick phantom), for the TrueBeam 2.35 MV/carbon and commercial imaging beams, respectively. Conclusions: VirtuaLinac is a promising new tool for Monte Carlo modeling of novel target designs. A significant spectral difference is observed between the low-Z target beam on the Clinac platform and the proposed imaging beam line on TrueBeam, with the former providing greater diagnostic energy content.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
A Path to 100 Percent Renewable Energy: Grid-Forming Inverters will Give Us the Grid We Need Now
This is a more urgent problem than it might sound. The westernmost Hawaiian island of significant size, Kauai is home to around 70,000 residents and 30,000 tourists at any given time. Renewable energy accounts for 70 percent of the energy produced in a typical year - a proportion that's among the highest in the world and that can be hard to sustain for such a small and isolated grid. During the day, the local system operator, the Kauai Island Utility Cooperative, sometimes reaches levels of 90 percent from solar alone. But on 2 April, the 26-MW generator was running near its peak output, to compensate for the drop in solar output as the sun set. At the moment when it failed, that single generator had been supplying 60 percent of the load for the entire island, with the rest being met by a mix of smaller generators and several utility-scale solar-and-battery systems.
battery management systems↗
Analysis of outgassing from natural fibers VIP core to improve their long-term performance
Buildings are the largest consumers of energy accounting for 40% of the total energy use in the US. The use of vacuum insulation panels (VIPs) with large R/in. values offers unique benefits in reducing building energy consumption such as providing excellent thermal insulation with significantly less thickness compared to convention insulation materials. Natural fibers are promising VIP core material because of their low cost and offer good thermal performance. However, the long-term thermal performance of the VIPs with natural fiber core can be compromised because of off-gassing from natural fibers. In this study, we utilize a mass spectrometer based analytical technique to investigate the composition of off-gassing from natural fibers. The result can be used to determine the optimal getters to help maintain the vacuum and improve the long-term thermal performance of the VIP for building insulation.
Tamraparni, Achutha [ORNL] (ORCID:0000000299658544↗
Theoretical assessment of the nuclear quantum effects on polymer crystallinity via perturbation theory and dynamics
As seen in experiments with poly(3-hexylthiophene), substitution of hydrogen with deuterium on the main chain alone decreases crystallinity. To understand this effect, a general formalism for analysis of the dipole moments and polarizabilities incorporating quantum nuclei, is developed in this paper. The formalism, based on quantum dynamics of the proton/deuteron and on the perturbative analysis of the dipole interaction energy, accounts for the anharmonicity of a potential energy surface and for the anisotropy of molecular dipole moments. The formalism is implemented within the Discrete Variable Representation and the Density Functional Theory describing, respectively, the quantum proton/deuteron on the thiophene ring and the electronic structure of the 27-atom model polymer chain, embedded into a larger crystalline environment. Finally, the isotope effect is mainly attributed to the differences in the zero-point energy of the CH/CD bonds and to the isotope-dependence of the dipole-dipole inter-chain interactions.
36 MATERIALS SCIENCE↗
Anhydrous Methanol and Ethanol Dehydrogenation at Cu(111) Step Edges
Oxidative methanol dehydrogenation is a significant industrial reaction with global formaldehyde production exceeding 30 million tonnes per year. Unfortunately, oxidative dehydrogenation produces water-aldehyde mixtures that require subsequent distillation. Anhydrous alcohol dehydrogenation is a potential alternative that produces H2 instead of water. Pursuant to recent experimental work showing that highly stepped Cu(111) surfaces exhibit anhydrous dehydrogenation activity, we present firstprinciples density functional theory calculations for methanol and ethanol dehydrogenation at Cu(111) step edges to provide an atomistic understanding of the catalytic mechanism; these sites stabilize all intermediates while reducing activation energies. We find that van der Waals contributions to the energy account for more than 50% of adsorption energies, and their inclusion is essential in achieving good agreement with experimental desorption temperatures. Furthermore, vibrational zero-point energy corrections significantly reduce the activation energy for all reaction steps considered here. Hydrogen bonding among ethanol intermediates at step edges is weakened by geometric frustration. These insights lead us to propose several suggestions for further research on undercoordinated Cu sites as anhydrous alcohol dehydrogenation catalysts.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Technology Prioritization: Transforming the U.S. Building Stock to Embrace Energy Efficiency
The U.S. Buildings sector is responsible for about 40% of the national energy expenditures. This is due in part to wasteful use of resources and limited considerations made for energy efficiency during the design and retrofit phases. Recent studies have indicated the potential for up to 30-50% energy savings in the U.S. buildings sector using currently available technologies. This paper discusses efforts to accelerate the transformation in the U.S. building energy efficiency sector using a new technology prioritization framework. The underlying analysis examines building energy use micro segments using the Energy Information Administration Annual Energy Outlook and other publically available information. The tool includes a stock-and-flow model to track stock vintage and efficiency levels with time. The tool can be used to investigate energy efficiency measures under a variety of scenarios and has a built-in energy accounting framework to prevent double counting of energy savings within any given portfolio. This tool is developed to inform decision making and estimate long term potential energy savings for different market adoption scenarios.
energy efficiency↗
Technology Prioritization: Transforming the U.S. Building Stock to Embrace Energy Efficiency
This paper discusses the efforts to accelerate the transformation in the U.S. building energy efficiency sector using a new technology prioritization framework. The underlying analysis examines building energy use micro segments using the Energy Information Administration Annual Energy Outlook and other publically available information. The U.S. Department of Energy’s Building Technologies Office (BTO) has developed a prioritization tool in an effort to inform programmatic decision making based on the long-term national impact of different energy efficiency measures. The prioritization tool can be used to investigate energy efficiency measures under a variety of scenarios and has a built-in energy accounting framework to prevent double counting of energy savings within any given portfolio. This tool is developed to inform decision making and estimate long term potential energy savings for different market adoption scenarios. It provides an objective comparison of new and existing measures and is being used to inform decision making with respect to BTO’s portfolio of projects.
prioritization tool, P-tool, P tool, energy effici↗
Vehicle Technologies Program Government Performance and Results Act (GPRA) Report for Fiscal Year 2014
The U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy has defined milestones for its Vehicle Technologies Office (VTO) technology programs. This report provides estimates of the benefits that would accrue from achieving these milestones relative to a base case that represents a future in which there is no VTO-supported vehicle technology development. This was done by estimating fuel use, primary energy use and greenhouse gas (GHG) emissions from light-, medium- and heavy-duty vehicles, including energy and GHG emissions from fuel production for the base case and the program “target” case. The target case represented the future with completely successful deployment of VTO technologies. Market penetrations of different vehicle types with and without VTO technologies were projected using market share models, and a stock and energy accounting model was used to make projections of energy consumption and GHG emissions for the base and target cases. The differences between the base case and the target case were attributed to VTO technologies. Improvements in fuel economy of various vehicle types were attributed to individual VTO technology areas, which included batteries and electric drives, advanced combustion engines, fuels and lubricants, materials (i.e., reducing vehicle mass, also called “lightweighting”), and for medium- and heavy-duty vehicles, reduction in rolling and aerodynamic resistance.
Stephens, T. S.↗
Vehicle Technologies Program Government Performance and Results Act (GPRA) Report for Fiscal Year 2015
The U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy’s Vehicle Technologies Office (VTO) invests in research, development, demonstration, and deployment of advanced vehicle technologies under a diverse set of technology programs. This report provides estimates of the benefits that would accrue from successfully developing and deploying these technologies relative to a “Base case” that represents a future in which there is no VTO-supported vehicle technology development. This was done by estimating fuel use, primary energy use, and greenhouse gas (GHG) emissions from light-, medium- and heavy-duty vehicles, including energy and GHG emissions from fuel production for the Base case and the program “Target” case. The Target case represented the future with completely successful deployment of VTO technologies. Market penetrations of different vehicle types with and without VTO technologies were projected using market share models, and a stock and energy accounting model was used to make projections of energy consumption and GHG emissions for the Base and Target cases. The differences between the Base case and the Target case were attributed to VTO technologies. Improvements in fuel economy of various vehicle types and the resulting fuel savings by the on-road vehicle stock were attributed to individual VTO technology areas, which included batteries and electric drives, advanced combustion engines, fuels and lubricants, materials (i.e., reducing vehicle mass, also called “lightweighting”), and for medium- and heavy-duty vehicles, reduction in rolling and aerodynamic resistance.
Stephens, T. S.↗
Equiparatition of energy for turbulent astrophysical fluids: Accounting for the unseen energy in molecular clouds
Molecular clouds are observed to be partially supported by turbulent pressure. The kinetic energy of the turbulence is directly measurable, but the potential energy, which consists of magnetic, thermal, and gravitational potential energy, is largly unseen. We have extended previous results on equipartition between kinetic and potential energy to show that it is likely to be a very good approximation in molecular clouds. We have used two separate approaches to demonstrate this result: For small-amplitude perturbations of a static equilibrium, we have used the energy principle analysis of Bernstein et al. (1958); this derivation applies to perturbations of arbitary wavelength. To treat perturbations of a nonstatic equilibrium, we have used the Lagrangian analysis of Dewar (1970); this analysis applies only to short-wavelength perturbations. Both analysis assume conservation of energy. Wave damping has only a small effect on equipartition if the wave frequency is small compared to the neutral-ion collision frequency; for the particular case we considered, radiative losses have no effect on equipartition. These results are then incorporated in a simple way into analyses of cloud equilibrium and global stability. We discuss the effect of Alfvenic turbulence on the Jeans mass and show that it has little effect on the magnetic critical mass.
Zweibel, Ellen G.↗