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At least 469 records · Page 26

Filament Formation in TaO x Thin Films for Memristor Device Application: Modeling Electron Energy Loss Spectra and Electron Transport

Abstract Although understanding filament formation in oxide‐based memristive devices by theory has emerged, there are still fundamental unanswered questions. Importantly, for practical application of thin films the material in its amorphous state is to be considered, but mostly lacking so far, and details on sub‐stoichiometry are also scarce. To gain insight into the optical and electronic properties of sub‐stoichiometric amorphous tantalum oxide (TaO x ), the electron energy loss spectrum (EELS) of model systems is characterized theoretically and electron transport characteristics are analyzed in detail. Calculated blue‐shifts by increasing sub‐stoichiometry explained the measurements, potentially suggesting estimation of oxygen vacancy concentrations through EEL spectra. Electron transport results based on TaO x material models validated by EELS measurements show that oxygen vacancy filamentary paths are initiated at low bias upon increasing sub‐stoichiometry yet noting an interplay with the local amorphous structure. Contact resistances at interfaces of the TaO x switching layer and a tantalum scavenging layer or titanium nitride electrode are quantified, indicating the possibility for either oxygen vacancy‐ or metal cluster‐based conduction mechanisms at the interface. The computational work, combined with experimental characterization for validation, provides a basis for investigating effects of sub‐stoichiometry on filament formation in TaO x thin film memristive devices.

36 MATERIALS SCIENCE↗

An Energy Balance Model to Predict Chemical Partitioning in a Photosynthetic Microbial Mat

Studies of biosignature formation in photosynthetic microbial mat communities offer potentially useful insights with regards to both solar and extrasolar astrobiology. Biosignature formation in such systems results from the chemical transformation of photosynthetically fixed carbon by accessory microorganisms. This fixed carbon represents a source not only of reducing power, but also energy, to these organisms, so that chemical and energy budgets should be coupled. We tested this hypothesis by applying an energy balance model to predict the fate of photosynthetic productivity under dark, anoxic conditions. Fermentation of photosynthetically fixed carbon is taken to be the only source of energy available to cyanobacteria in the absence of light and oxygen, and nitrogen fixation is the principal energy demand. The alternate fate for fixed carbon is to build cyanobacterial biomass with Redfield C:N ratio. The model predicts that, under completely nitrogen-limited conditions, growth is optimized when 78% of fixed carbon stores are directed into fermentative energy generation, with the remainder allocated to growth. These predictions were compared to measurements made on microbial mats that are known to be both nitrogen-limited and populated by actively nitrogen-fixing cyanobacteria. In these mats, under dark, anoxic conditions, 82% of fixed carbon stores were diverted into fermentation. The close agreement between these independent approaches suggests that energy balance models may provide a quantitative means of predicting chemical partitioning within such systems - an important step towards understanding how biological productivity is ultimately partitioned into biosignature compounds.

Hoehler, Tori M.↗

Climate warming due to increasing atmospheric CO2 - Simulations with a multilayer coupled atmosphere-ocean seasonal energy balance model

The transient response of the climate to increasing CO2 is studied using a modified version of the multilayer energy balance model of Peng et al. (1982). The main characteristics of the model are described. Latitudinal and seasonal distributions of planetary albedo, latitude-time distributions of zonal mean temperatures, and latitudinal distributions of evaporation, water vapor transport, and snow cover generated from the model and derived from actual observations are analyzed and compared. It is observed that in response to an atmospheric doubling of CO2, the model reaches within 1/e of the equilibrium response of global mean surface temperature in 9-35 years for the probable range of vertical heat diffusivity in the ocean. For CO2 increases projected by the National Research Council (1983), the model's transient response in annually and globally averaged surface temperatures is 60-75 percent of the corresponding equilibrium response, and the disequilibrium increases with increasing heat diffusivity of the ocean.

Li, Peng↗

Multiple-event airplane noise annoyance

The annoyance of sessions of airplane noise which contained different noise levels and numbers of flyovers was investigated. The time of occurrence of the high noise level flyovers in the sessions did not significantly affect annoyance, but annoyance increased with the number of such flyovers. Annoyance decreased with test session duration but increased with the total number of flyovers in the test sessions. It is found that the results support an average energy model better than a total energy model, the annoyance decay model, or the dB(A) peak concept.

Powell, C. A.↗

Cost Modelling for Energy Efficient Window Replacements

This paper detailed data collection and cost-modeling efforts to understand the hardware and non-hardware (soft) cost of residential, energy efficient window replacements. NREL created a bottom-up cost model that details costs associated with window materials, installation labor, company overhead, and administrative costs. NREL did not find a single cost area for improvement but observed several non-cost barriers to increased window replacements. The non-cost barriers associated with window replacements are consumer education, lack of communication of the value of window replacement to consumers, and difficulty for consumers to identify quality products and installation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Energy storage in combined gas-electric energy transitions models: The case of California

California’s vision for a net-zero future by 2045 relies heavily on variable renewable energy systems. Thus, energy storage - particularly long-duration storage - could play a fundamental role in reliably supplying low-carbon electricity. We study energy storage using the BRIDGES model, a combined gas-electric capacity expansion model for California across multiple investment periods (2025-2045), modeled with progressively decreasing carbon emission targets to a zero emissions by 2045. This least-cost optimization model includes renewable gas production via power-to-gas, long-term storage of energy in gaseous form, electric energy storage such as through batteries and hydrogen storage, and renewable energy generation, all with capacity tracking and investment. Multiple scenarios are evaluated to examine the sensitivity of the optimal storage portfolio to system-level and sector-level parameters. The scenario results show that all electric energy storage systems - which vary in storage duration - are deployed and required in a net-zero California in 2045, amounting to around 75 GW of storage capacity. Lithium ion systems make up approximately 80% of this power capacity and supply most short-run storage needs. Hydrogen storage - in the form of a power-to-gas-to-power system - emerges as a replacement to conventional natural gas storage, comprising most of the total energy storage capacity (~ 4 TWh). This capacity is less than 5% of the current natural gas storage capacity (94 TWh), indicating sufficient room for repurposing part of the gas infrastructure. A demand-side sensitivity analysis proves that higher electricity demand correlates with more builds of Li-ion batteries, while higher industrial heat demand leads to more builds of long-duration storage systems in a net-zero economy. Furthermore, power-to-gas systems satisfy part of the industrial heat demand by locally supplying renewable gas, which overtakes the traditional centralized gas storage and transfers through pipelines, casting significant doubts on the future of the large-scale gas infrastructure.

03 NATURAL GAS↗

Comparison of multifidelity machine learning models for potential energy surfaces

Multifidelity modeling is a technique for fusing the information from two or more datasets into one model. It is particularly advantageous when one dataset contains few accurate results and the other contains many less accurate results. Within the context of modeling potential energy surfaces, the low-fidelity dataset can be made up of a large number of inexpensive energy computations that provide adequate coverage of the N-dimensional space spanned by the molecular internal coordinates. The high-fidelity dataset can provide fewer but more accurate electronic energies for the molecule in question. Here, we compare the performance of several neural network-based approaches to multifidelity modeling. We show that the four methods (dual, Δ-learning, weight transfer, and Meng–Karniadakis neural networks) outperform a traditional implementation of a neural network, given the same amount of training data. We also show that the Δ-learning approach is the most practical and tends to provide the most accurate model.

Chemistry↗

Observational Constraints on the Tilted Spatially Flat and the Untilted Nonflat $\phi$CDM Dynamical Dark Energy Inflation Models

Herein we constrain spatially flat tilted and nonflat untilted scalar field ($\phi$) dynamical dark energy inflation ($\phi$CDM) models by using Planck 2015 cosmic microwave background (CMB) anisotropy measurements and recent baryonic acoustic oscillation distance observations, Type Ia supernovae apparent magnitude data, Hubble parameter measurements, and growth rate data. We assume an inverse power-law scalar field potential energy density $V(\phi )={V}_{0}{\phi }^{-\alpha }$. We find that the combination of the CMB data with the four non-CMB data sets significantly improves parameter constraints and strengthens the evidence for nonflatness in the nonflat untilted $\phi$CDM case from 1.8$σ$ for the CMB measurements only to more than 3.1$σ$ for the combined data. In the nonflat untilted $\phi$CDM model, current observations favor a spatially closed universe with spatial curvature contributing about two-thirds of a percent of the present cosmological energy budget. The flat tilted $\phi$CDM model is a 0.4$σ$ better fit to the data than is the standard flat tilted $Λ$CDM model: current data allow for the possibility that dark energy is dynamical. The nonflat tilted $\phi$CDM model is in better accord with the Dark Energy Survey bounds on the rms amplitude of mass fluctuations now ($σ_8$) as a function of the nonrelativistic matter density parameter now ($Ω_m$) but it does not provide as good a fit to the larger-multipole Planck 2015 CMB anisotropy data as does the standard flat tilted $Λ$CDM model. A few cosmological parameter value measurements differ significantly when determined using the tilted flat and the untilted nonflat $\phi$CDM models, including the cold dark matter density parameter and the reionization optical depth.

79 ASTRONOMY AND ASTROPHYSICS↗

Accelerated Climate Modeling For Energy

This is the final report on the work of the New York University team to the DOE Accelerated Climate Modeling For Energy (ACME) project. NYU was one of the original developers of the UV-CDAT tool for climate data analysis, which is being used in ACME. NYU primarily focused on the analysis package graphical user interface, workflow and provenance functionality. The most significant activities in the last year of the grant were the development of the new plotting system in UVCMetrics package and the package EzLinePlot for 1D plots which are described in detail.

54 ENVIRONMENTAL SCIENCES↗

Radio observations of GRB 100418a: Test of an energy injection model explaining long-lasting GRB afterglows

We present the results of our radio observational campaign of gamma-ray burst (GRB) 100418a, for which we used the Australia Telescope Compact Array, the Very Large Array, and the Very Long Baseline Array. GRB 100418a was a peculiar GRB with unusual X-ray and optical afterglow profiles featuring a plateau phase with a very shallow rise. This observed plateau phase was believed to be due to a continued energy injection mechanism that powered the forward shock, giving rise to an unusual and long-lasting afterglow. The radio afterglow of GRB 100418a was detectable several weeks after the prompt emission. We conducted long-term monitoring observations of the afterglow and attempted to test the energy injection model advocating that the continuous energy injection is due to shells of material moving at a wide range of Lorentz factors. We obtained an upper limit of γ < 7 for the expansion rate of the GRB 100418a radio afterglow, indicating that the range-of-Lorentz factor model could only be applicable for relatively slow-moving ejecta. A preferred explanation could be that continued activity of the central engine may have powered the long-lasting afterglow.

79 ASTRONOMY AND ASTROPHYSICS↗

A Hybrid Tour-Based Model for Energy Analysis of Multi-Modal Intra-City Freight: A Case Study of Autonomous Electric Vehicles

With the emergence of cutting-edge transportation technologies, such as electric vehicles (EVs), connected and autonomous vehicles, and drones, the adoption of multimodal freight mobility has the potential to improve efficiency and save more energy. This paper proposes a hybrid tour-based model to evaluate the energy impact of multimodal intra-city freight movement for future scenarios. The model is built based on the traveling salesman problem model and clustering techniques. A case study using autonomous electric vehicles for package delivery is evaluated. The study was conducted using data analyzed from the Columbus, Ohio, metropolitan area. The initial results show that multimodal package delivery using autonomous EVs reduced total travel time by 45% and saved total energy use by 19%, but increased total vehicle miles traveled by 15% when compared with the baseline scenario.

25 ENERGY STORAGE↗

A Hybrid Tour-Based Model For Energy Analysis Of Multi-Modal Intra-City Freight: A Case Study Of Autonomous Electric Vehicles: Preprint

With the emergence of cutting-edge transportation technologies, such as electric vehicles, connected and autonomous vehicles, and drones, the adoption of multimodal freight mobility has the potential to improve efficiency and save more energy. This paper proposes a hybrid tour-based model to evaluate the energy impact of multimodal intra-city freight movement for future scenarios. The model is built based on the traveling salesman problem model and clustering techniques. A case study using autonomous electric vehicles for package delivery is evaluated. The study was conducted using data analyzed from the Columbus, Ohio, metropolitan area. The initial results show that multimodal package delivery using autonomous electric vehicles reduced total travel time by 45% and saved total energy use by 19%, but increased total vehicle miles traveled by 15% when compared with the baseline scenario.

33 ADVANCED PROPULSION SYSTEMS↗

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Accident Tolerant Fuels High Impact Problem: Coordinate Multiscale FeCrAl Modeling

Since the events at the Fukushima-Daiichi nuclear power plant in March 2011 significant research has unfolded at national laboratories, universities and other institutions into alternative materials that have potential enhanced ac- cident tolerance when compared to traditional UO2 fuel zircaloy clad fuel rods. One of the potential replacement claddings are iron-chromium-alunimum (FeCrAl) alloys due to their increased oxidation resistance [1–4] and higher strength [1, 2]. While the oxidation characteristics of FeCrAl are a benefit for accident tolerance, the thermal neu- tron absorption cross section of FeCrAl is about ten times that of Zircaloy. This neutronic penalty necessitates thinner cladding. This allows for slightly larger pellets to give the same cold gap width in the rod. However, the slight increase in pellet diameter is not sufficient to compensate for the neutronic penalty and enriching the fuel beyond the current 5% limit appears to be necessary [5]. Current estimates indicate that this neutronic penalty will impose an increase in fuel cost of 15-35% [1, 2]. In addition to the neutronic disadvantage, it is anticipated that tritium release to the coolant will be larger because the permeability of hydrogen in FeCrAl is about 100 times higher than in Zircaloy [6]. Also, radiation-induced hardening and embrittlement of FeCrAl need to be fully characterized experimentally [7]. Due to the aggressive development schedule for inserting some of the potential materials into lead test assemblies or rods by 2022 [8] multiscale multiphysics modeling approaches have been used to provide insight into these the use of FeCrAl as a cladding material. The purpose of this letter report is to highlight the multiscale modeling effort for iron-chromium-alunimum (FeCrAl) cladding alloys as part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program through its Accident Tolerant Fuel (ATF) High Impact Problem (HIP). The approach taken throughout the HIP is to utilize lower length scale approaches (e.g., density functional theory, cluster dynamics, rate theory, phase field, and Visco-Plastic- Self-Consistent (VPSC)) to develop more physically informed models at the engineering scale for use in the BISON [9] fuel performance code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Assessment of Existing OpenStudio Measures: Reviews, Interviews, and Future Developments

OpenStudio Measure development is continuously in progress and greatly propelled by the collaborative efforts within the building energy modeling community. To ensure the widespread adoption and benefit of OpenStudio Measures, developers must understand the current status of Measure development and the needs of OpenStudio Measure users. The first step involves a comprehensive review of existing content to prevent redundancy and gain insights into how OpenStudio Measures are used in the building energy modeling community. This knowledge can then be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users can be leveraged to shape future Measures. Numerous OpenStudio Measures have been created and shared on the Building Component Library (BCL). The BCL is an open-source repository housing various OpenStudio-related resources, including building component blocks, descriptive metadata, and Measures describing modifications to building energy models. The OpenStudio Measures in BCL encompass a wide range of energy conservation Measures from basic lighting power reduction to complex HVAC model transformation. They also enable users to generate customized reports and facilitate the integration of energy simulation with other analytical processes. This report presents review of 272 currently available OpenStudio Measures in BCL. The OpenStudio Measures were reviewed by category and subcategory. These Measures are summarized by their functionalities and keywords. To gain insights into how OpenStudio Measures are used in building energy modeling community, interviews were conducted. A total of 12 interview responses were collected from 6 individuals in the industry and 6 individuals in academia. The knowledge acquired from reviewing the existing Measures and interview results will be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users will be leveraged to shape future Measures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Accelerated Climate Modeling for Energy (ACME) – Atmospheric Radiation Measurement (ARM) Climate Research Facility – Atmospheric System Research (ASR) Coordination Workshop, October 21–22, 2015

The Climate and Environmental Sciences Division (CESD) of the U.S. Department of Energy’s Office of Biological and Environmental Research focuses on advancing a robust predictive understanding of Earth’s climate and environmental systems to inform the development of sustainable solutions to the Nation’s energy and environmental challenges. CESD climate activities related to atmospheric processes include: observations through the Atmospheric Radiation Measurement (ARM) Climate Research Facility; atmospheric research and model parameterization development through the Atmospheric System Research (ASR) program; climate model development and climate research through the Accelerated Climate Modeling for Energy (ACME) project along with other computationally focused model-development activities within the CESD Earth System Modeling (ESM) program, and development of robust model analytical and testing frameworks at multiple scales through the Regional and Global Climate Modeling program. This workshop focused primarily on improving model treatment of atmospheric processes as a means to focus discussion and did not address research on terrestrial ecosystem and subsurface processes, which are also part of the CESD research portfolio.

54 ENVIRONMENTAL SCIENCES↗

Comparison of temporal resolution selection approaches in energy systems models

Capacity expansion models for the power sector are used to project future decisions over the coming decades by simulating investment and operation decisions for the use of electricity. Due to model performance constraints, these models typically do not explicitly simulate every hour within a year, but instead simulate representative time segments (groups of hours). This paper evaluates different approaches for selecting time segments across three methods: sequential, categorical, and clustering, across a wide range of time-segment quantities, for a total of 204 temporal profiles. To measure the performance of each profile's ability to accurately represent data, the root-mean-square-error of each profile's time segments are compared to the data's original hourly data. The temporal alignment across regions is also measured (i.e., how often windy days align across regions). Different spatial resolutions were applied for a subset of the temporal selection methods to investigate the impact spatial resolution has on performance. This paper provides a framework for measuring the value of different temporal selection methods and of adding more granular data to energy system models. Overall, multi-criteria clustering yields the lowest root-mean-square-error across all datasets evaluated and provides a holistic view of the intertwined relationships between renewable generation and electricity demand.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

An air quality index-based multistage type-2-fuzzy interval-stochastic programming model for energy and environmental systems management under multiple uncertainties

Highlights: • A multistage type-2-fuzzy interval-stochastic programming (MTIP) method is developed. • Air quality index (AQI) is introduced to manage energy and environmental systems. • AQI-MTIP model is formulated and results for Tianjin's EES are generated. • Impacts of environmental requirements on energy systems is analyzed. • Results can provide support for making effective pollutant mitigation policy. In this study, a multistage type-2-fuzzy interval-stochastic programming (MTIP) method is developed, which extends upon the existing multistage stochastic programming (MSP) by allowing uncertainties expressed as probabilistic distributions, interval values and type-2 fuzzy sets to be effectively incorporated within the optimization framework. Through coupling air quality index (AQI) with MTIP, an AQI-MTIP model is formulated for energy and environmental systems (EES) management of Tianjin. A number of scenarios based on changed AQIs are examined to analyze the impacts of environmental requirements on the city's energy system. Results indicate that (i) with the improvement of environmental requirement, utilization of clean energies (especially natural gas) is provoked markedly; (ii) PM{sub 2.5} is the primary pollutant, 64.50% of which should be reduced each period to maintain the city's air quality at a health-safe level. These findings can help decision makers adjust energy structure, make effective mitigation strategy, and gain deep insight into the relationship between energy consumption and environmental requirement.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗