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At least 1,153 records · Page 64

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.

47 OTHER INSTRUMENTATION↗

An Ellipsometric Investigation of the Optical Properties of Ru{sub 2}Ge{sub 3} and Ru{sub 2}Sn{sub 3} Compounds

Ellipsometric investigations of the optical properties of Ru{sub 2}Ge{sub 3} and Ru{sub 2}Sn{sub 3} intermetallic compounds are carried out in the wavelength range from 0.22 to 15 μm. The nature of interband light absorption is analyzed based on a comparative analysis of the experimental and theoretical frequency dependences of an optical conductivity. The obtained results confirm the existence of energy gaps at the Fermi level in the electronic spectra of these materials predicted earlier by the band-structure calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Space technology test facilities at the NASA Ames Research Center

The major space research and technology test facilities at the NASA Ames Research Center are divided into five categories: General Purpose, Life Support, Computer-Based Simulation, High Energy, and the Space Exploraton Test Facilities. The paper discusses selected facilities within each of the five categories and discusses some of the major programs in which these facilities have been involved. Special attention is given to the 20-G Man-Rated Centrifuge, the Human Research Facility, the Plant Crop Growth Facility, the Numerical Aerodynamic Simulation Facility, the Arc-Jet Complex and Hypersonic Test Facility, the Infrared Detector and Cryogenic Test Facility, and the Mars Wind Tunnel. Each facility is described along with its objectives, test parameter ranges, and major current programs and applications.

Gross, Anthony R.↗

Understanding Economic and Deployment Benefits of Wind-PV Hybrid Power Plants

The least-cost approach to decarbonizing the U.S. electricity supply will likely involve a significantly expanded share of variable renewable energy (VRE) generation. Many strategies and approaches have been identified to address integration challenges in a VRE-dominated system, including standalone and coupled battery systems. In this study, we explored the current and future potential of utility-scale hybrid energy systems comprising PV, wind, and lithium-ion battery technologies (PV-wind-battery systems). Analysis results include temporal complementarity of wind and PV resources across the contiguous United States, with an emphasis on metrics that quantify reductions in variability that can be achieved through hybridization. We further use a price-taker model with simulated hourly energy and capacity prices to determine the revenue-maximizing dispatch of a range of PV-wind-battery configurations across Texas, from the present through 2050. We find that coupling PV, wind, and battery technologies allows for more effective utilization of interconnection capacity by increasing capacity factors to 60-80%+ and capacity credits to close to 100%, depending on battery capacity. We also compared the energy and capacity values of PV-wind and PV-wind-battery systems to the corresponding stability coefficient metric, which describes the location-and configuration-specific complementarity of PV and wind resources. Our results show that the stability coefficient effectively predicts the configuration-location combinations in which a smaller battery component can provide comparable economic performance in a PV-wind-battery system (compared to a PV-battery system). These PV-wind-battery hybrids can help integrate more VRE by providing smoother, more predictable generation and greater flexibility. Finally, capacity expansion modeling of PV-wind systems indicates that hybridization can reduce transmission expansion requirements associated with a heavily decarbonized U.S. electricity system.

complementarity↗

Modeling of wave processes in blocky media with porous and fluid-saturated interlayers

The wave processes in blocky media are analyzed by applying different mathematical models, wherein the elastic blocks interact with each other via pliant interlayers with the complex mechanical properties. Four versions of constitutive equations are considered. In the first version, an elastic interaction between the blocks is simulated within the framework of linear elasticity theory, and the model of elastic–plastic interlayers is constructed to take into account the appearance of irreversible deformation of interlayers at short time intervals. In the second one, the effects of viscoelastic shear in the interblock interlayers are taken into the consideration using the Poynting–Thomson rheological scheme. In the third option, the model of an elastic porous material is used in the interlayers, where the pores collapse if an abrupt compressive stress is applied. In the fourth case, the model of a fluid-saturated material with open pores is examined based on Biot's equations. The collapse of pores is modeled by the generalized rheological approach, wherein the mechanical properties of a material are simulated using four rheological elements. Three of them are the traditional elastic, viscous and plastic elements, the fourth element is the so-called rigid contact, which is used to describe the behavior of materials with the different resistance to tension and compression. It was shown that the thermodynamically consistent model is provided, which means that the energy balance equation is fulfilled for an entire blocky structure, where the kinetic and potential energy of the system is the sum of the kinetic and potential energies of the blocks and interlayers. Under numerical implementation of the interlayers models, the dissipationless finite difference Ivanov's method was used. The splitting method by spatial variables in the combination with the Godunov gap decay scheme was applied in the blocks. As a result, robust and stable computational algorithms are built and tested. Using MPI technology, the parallel software was designed for the modeling of wave processes in 2D setting. The numerical results are presented, discussed and future studies are outlined. - Highlights: • We model the propagation of waves in a blocky medium with compliant interlayers. • Models of porous and fluid saturated interlayers are proposed using Biot's approach. • A parallel computational algorithm is developed for supercomputers of cluster type. • Problems of instant rotation of central and boundary blocks are solved numerically. • Wave motions are compared in the cases of elastic and fluid-saturated interlayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

THE EFFECT OF TURBULENCE INTERMITTENCE ON THE EMISSION OF SOLAR ENERGETIC PARTICLES BY CORONAL AND INTERPLANETARY SHOCKS

Major solar energetic particle events are associated with shock waves in solar corona and solar wind. Fast scattering of charged particles by plasma turbulence near the shock wave increases the efficiency of the particle acceleration in the shock, but prevents particles from escaping ahead of the shock. However, the turbulence energy levels in neighboring magnetic tubes of solar wind may differ from each other by more than one order of magnitude. We present the first theoretical study of accelerated particle emission from an oblique shock wave propagating through an intermittent turbulence background that consists of both highly turbulent magnetic tubes, where particles are accelerated, and quiet tubes, via which the accelerated particles can escape to the non-shocked solar wind. The modeling results imply that the presence of the fast transport channels penetrating the shock and cross-field transport of accelerated particles to those channels may play a key role in high-energy particle emission from distant shocks and can explain the prompt onset of major solar energetic particle events observed near the Earth's orbit.

79 ASTRONOMY AND ASTROPHYSICS↗

Molecular elimination of Br{sub 2} in photodissociation of CH{sub 2}BrC(O)Br at 248 nm using cavity ring-down absorption spectroscopy

The primary elimination channel of bromine molecule in one-photon dissociation of CH{sub 2}BrC(O)Br at 248 nm is investigated using cavity ring-down absorption spectroscopy. By means of spectral simulation, the ratio of nascent vibrational population in v = 0, 1, and 2 levels is evaluated to be 1:(0.5 {+-} 0.1):(0.2 {+-} 0.1), corresponding to a Boltzmann vibrational temperature of 581 {+-} 45 K. The quantum yield of the ground state Br{sub 2} elimination reaction is determined to be 0.24 {+-} 0.08. With the aid of ab initio potential energy calculations, the obtained Br{sub 2} fragments are anticipated to dissociate on the electronic ground state, yielding vibrationally hot Br{sub 2} products. The temperature-dependence measurements support the proposed pathway via internal conversion. For comparison, the Br{sub 2} yields are obtained analogously from CH{sub 3}CHBrC(O)Br and (CH{sub 3}){sub 2}CBrC(O)Br to be 0.03 and 0.06, respectively. The trend of Br{sub 2} yields among the three compounds is consistent with the branching ratio evaluation by Rice-Ramsperger-Kassel-Marcus method. However, the latter result for each molecule is smaller by an order of magnitude than the yield findings. A non-statistical pathway so-called roaming process might be an alternative to the Br{sub 2} production, and its contribution might account for the underestimate of the branching ratio calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electromagnetic Shower Reconstruction and Identification in FASER's Emulsion Detector for LHC Forward Neutrino Measurements

We present methods for electromagnetic shower reconstruction and identification in the FASERnu emulsion detector using 100 GeV and 200 GeV electron test-beam data from the CERN SPS H4 beamline. The reconstruction employs a clustering-based algorithm without energy-dependent tuning to determine shower axes. A multi-level identification chain comprising track pre-selection, a cut-based selection, and a BDT classifier achieves combined background rejection rates of 99.99% (100 GeV) and 99.94% (200 GeV). The method reaches total reconstruction and identification efficiencies of 58.9% (100 GeV) and 70.8% (200 GeV) evaluated from simulated samples. Energy reconstruction using the total number of reconstructed segments as the calorimetric estimator yields relative biases of +0.6% (100 GeV) and -0.8% (200 GeV), with resolutions of 25.4% and 22.6%, respectively. Systematic uncertainties on the energy reconstruction are dominated by variations in emulsion film detection efficiency, contributing (+10.9%/-8.2%) at 100 GeV and (+10.3%/-6.9%) at 200 GeV. The methodology provides a validated framework for electron neutrino identification with the FASERnu detector at the LHC.

Mammen Abraham, Roshan [UC, Irvine]↗

Comparative analysis of energy deposition modes available in Serpent 2 within the framework of the supercritical water reactor - Fuel qualification test reactor physics benchmark

A joint European Canadian Chinese development of a supercritical water-cooled small modular reactor (SCW-SMR) technology is in progress since September 2020 in the framework of a Horizon 2020 project called ECC-SMART. As a main purpose of the project, proper estimates of energy deposition and its spatial distribution are prerequisites for the accurate analysis of safety related parameters of the SCW-SMR concept under development. A supercritical water reactor fuel computational benchmark model, provided by Canadian Nuclear Laboratories, was applied for detailed comparison of different energy deposition calculation options available in the Serpent 2 Monte Carlo code. The effect of energy deposition options on the normalization of the results as well as on the spatial distribution of the energy deposition are discussed. Consistent energy deposition calculation methods are presented between three Monte Carlo codes, viz., Serpent 2, MCNP6 and OpenMC. Although resource-intensive, the use of the coupled neutron-photon transport mode of Serpent 2 is recommended for accurate spatial and quantitative characterization of energy deposition in the SCW-SMR fuel assemblies, accounting for both neutron and photon heating of all the materials. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Impact of Increased Latent Generations on Sensitivity Calculations with SCALE

Analyses of cross section sensitivity data from systems with fissile material allow analysts to associate an importance for each material, nuclide, reaction, and neutron energy by simulating real world criticality scenarios. Although criticality safety validation efforts can be guided by the cross-section sensitivity and uncertainty data generated for a particular system, these calculations can often be computationally expensive and sometimes cumbersome without proper guidance. The TSUNAMI suite within the SCALE code package has several methods for generating sensitivity data, including multigroup and continuous energy (CE) capabilities. The release of SCALE 6.3 has three different CE methods for generating cross section sensitivity data: (1) the Iterated Fission Probability (IFP) method with the KENO Monte Carlo transport solver, (2) the IFP method with the Shift Monte Carlo transport solver, and (3) the Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method with the KENO Monte Carlo transport solver. Although the CLUTCH method has additional parameters for generating sensitivity data files relative to the IFP method, all three methods use latent generations, which are the generations between an event (i.e., fission) and the assessment of importance based on the asymptotic population of progeny neutrons. Increasing the number of latent generations in a calculation leads to increased discrimination of the sensitivity coefficients but at the cost of the increased uncertainty associated with those generated values. Analysts must balance the accuracy of the sensitivity calculations and its uncertainty with the associated computational cost involved in generating the values. This paper discusses the impact of adjusting the latent generation parameter for a range of sensitivity values and how these changes compare with the direct perturbation values obtained from a change of ±0.5% Δ k in both benchmark and safety application models. Two benchmarks from the International Handbook of Evaluated Criticality Safety Benchmark Experiments and the MPC-32 dual purpose canister for spent nuclear fuel are used for analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Neutrino Transport with Monte Carlo Method. I. Toward Fully Consistent Implementation of Nucleon Recoils in Core-collapse Supernova Simulations

The small energy exchange via nucleon recoils in neutrino–nucleon scattering is now supposed to be one of the important factors for successful explosions of core-collapse supernovae (CCSNe), as they can change neutrino spectra through accumulation of a large number of scatterings. In deterministic methods employed for neutrino transport in CCSN simulations, we normally cannot afford to deploy a large enough number of energy bins needed to resolve this small energy exchange, and subgrid techniques are employed one way or another. In this paper, we study quantitatively with the Monte Carlo (MC) method how well such a treatment performs. We first investigate the effects of nucleon recoils on the neutrino spectra and confirm that the average energy is reduced by ~15% for heavy-lepton neutrinos and much smaller amounts for other types of neutrinos in a typical postbounce situation. It is also observed that the nucleon scattering dominates the electron scattering in the thermalization of neutrino spectra in all flavors. We then study possible artifacts that the coarse energy grid may produce in the deterministic methods. In order to mimic the latter calculation, we redistribute MC particles in each energy bin after a certain interval in a couple of ways and study how the results are affected, depending on the energy resolution. We also discuss the possible implications of our results for the deterministic methods.

79 ASTRONOMY AND ASTROPHYSICS↗

Molecular dynamics study of silicon atomic layer etching by chlorine gas and argon ions

Classical molecular dynamics (MD) is used to simulate atomic layer etching processes of silicon by alternating exposure to chlorine gas and argon ions. In order to validate our model, a rigorous comparison is done with ion beam experiments found in the literature [Park et al., Jpn. J. Appl. Phys. 44, 389 (2005)]. Here it is shown that the etch per cycle (EPC) as a function of argon ion energy from simulations is in quantitative agreement with experimental results if the correct argon ion fluence is used in the simulations. The EPC as a function of ion irradiation time and amount of chlorine exposure also show good agreement with the experiment. The MD simulations also show the formation of an amorphous silicon region with chlorine atoms mixed uniformly throughout following ion bombardment. Finally, the etch products during the ion irradiation step are analyzed and discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

Response to FESAC survey, non-fusion connections to Fusion Energy Sciences. Applications of the FES-supported beam and plasma simulation code, Warp

The Fusion Energy Sciences Advisory Committee’s subcommittee on non-fusion applications (FESAC NFA) is conducting a survey to obtain information from the fusion community about non-fusion work that has resulted from their DOE-funded fusion research. The subcommittee has requested that members of the community describe recent developments connected to the activities of the DOE Office of Fusion Energy Sciences. Two questions in particular were posed by the subcommittee. This document contains the authors’ responses to those questions.

43 PARTICLE ACCELERATORS↗

Generation and validation of comprehensive synthetic weather histories using auto-regressive moving-average models

As energy system design moves to more complex methods of optimization including machine learning there is a significant need for more weather data than is available. One method to solve this is using synthetic data models such as the auto-regressive moving-average (ARMA) model which has been frequently utilized to create such data. This paper looks at extending the ARMA algorithm to generate solar components through the use of clearsky detrending, maintaining vector relationships and by leveraging physical relationships. The method for the creation of entirely synthetic weather data files including key weather variables for energy system analysis is presented. Furthermore, a detailed comparison of energy system simulations utilizing both real and synthetic data is made using NREL’s System Advisor Model. Whilst good agreement is made for the solar variables, and other weather variables, ARMA methods often fail to capture the standard deviation and skew of annual weather distributions. Vector-ARMA is shown to maintain correlations between variables and thus generate data sets that perform similarly in energy system design. Here, it is finally shown that the ARMA method fails to preserve day-today correlations in weather variables and thus over-predicts optimal energy storage by 21% for a residential solar application.

42 ENGINEERING↗

A Parameterization of Sub-grid Topographical Effects on Solar Radiation in the E3SM Land Model (Version 1.0): Implementation and Evaluation Over the Tibetan Plateau

Topography exerts significant influences on the incoming solar radiation at the land surface. A few stand-alone regional and global atmospheric models have included parameterizations for sub-grid topographic effects on solar radiation. However, nearly all Earth System Models (ESMs) that participated in the Coupled Model Intercomparison Project (CMIP6) use a plane-parallel (PP) radiative transfer scheme that assumes the terrain is flat. In this study, we incorporated a well-validated sub-grid topographic (TOP) parameterization in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) version 1.0 to quantify the effects of sub-grid topography on solar radiation flux, including the shadow effects and multi-scattering between adjacent terrain. The Moderate Resolution Imaging Spectroradiometer (MODIS) data was used to evaluate the performance of ELM. We studied the role of sub-grid topography by performing ELM simulations with the PP and TOP schemes over the Tibetan Plateau (TP). Additional ELM simulations were performed at multiple spatial resolutions to investigate the role of spatial scale on sub-grid topographic effects on solar radiation. When compared to MODIS data, incorporating the sub-grid topographic effects overall reduces the biases of ELM in simulating surface energy balance, snow cover and surface temperature especially in the high-elevation and snow-cover regions over the TP. Topography has non-negligible effects on surface energy budget, snow cover, and surface temperature over the TP. The absolute differences in surface energy fluxes for net solar radiation, latent heat flux, and sensible heat flux between TOP and PP exceed 20 W/m 2 , 10 W/m 2 , and 5 W/m 2 , respectively. The differences in land surface albedo, snow cover fraction, and surface temperature between TOP and PP exceed 0.1, 20%, and 1K, respectively. The magnitude of the sub-grid topographic effects is dependent on seasons and elevations, and is also sensitive to the spatial scales. Although the sub-grid topographic effects on solar radiation are more significant with more spatial details at finer spatial scales, they cannot be simply neglected at coarse spatial scales. The inclusion of sub-grid topographic effects on solar radiation parameterization in ELM will contribute to advancing our understanding of the role of the surface topography on terrestrial processes over complex terrain.

58 GEOSCIENCES↗

Improved fluid simulations of radio-frequency plasmas using energy dependent ion mobilities

Symmetric and asymmetric capacitively coupled radio-frequency plasmas in oxygen at 40 Pa, 300 V voltage amplitude and a discharge gap of 40 mm are investigated by means of one-dimensional numerical semi-kinetic fluid modeling on the basis of a simplified reaction scheme including the dominant positive and negative ions, background gas, and electrons. An improved treatment, by accounting for the dependence of ion mobilities on E/N, is compared to the standard approach, based on using zero-field mobility values only. The charged particle dynamics as a result of direct electron impact ionization of oxygen, secondary electron release from the electrodes, the spatial distribution of all involved particles as well as impact of geometry and model modification on ion energies is analyzed and compared to independent simulations and experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of a single-shot-imaging thin film for an online Thomson parabola spectrometer

A single-shot-imaging thin scintillator film was developed for an online Thomson parabola (TP) spectrometer and the first analysis of laser accelerated ions, using the online TP spectrometer, was demonstrated at the JAEA-Kansai Advanced Relativistic Engineering Laser System (J-KAREN). An energy spectrum of {approx}4.0 MeV protons is obtained using only this imaging film without the need of a microchannel plate that is typically utilized in online ion analyses. A general-purpose Monte Carlo particle and heavy ion-transport code system, which consists of various quantum dynamics models, was used for the prediction of the luminescent properties of the scintillator. The simulation can reasonably predict not only the ion trajectories detected by the spectrometer, but also luminescence properties.

36 MATERIALS SCIENCE↗

Assessment of Vehicle Sizing, Energy Consumption and Cost Through Large Scale Simulation of Advanced Vehicle Technologies

The U.S. Department of Energy (DOE) Vehicle Technologies Office (VTO) has been developing more energy-efficient and environmentally friendly highway transportation technologies that will enable America to use less petroleum. The long-term aim is to develop "leapfrog" technologies that will provide Americans with greater freedom of mobility and energy security, while lowering costs and reducing impacts on the environment. This report reviews the results of the DOE VTO. It gives an assessment of the fuel and light-duty vehicle technologies that are most likely to be established, developed, and eventually commercialized during the next 30 years (up to 2045). Because of the rapid evolution of component technologies, this study is performed every two years to continuously update the results based on the latest state-of-the-art technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗