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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Diffusion mechanisms in Li{sub 0.5}CoO{sub 2}—A computational study

An atomistic study of the order-effect occurring in Li{sub x}CoO{sub 2} at x = 0.5 is presented, and an explanation for the experimentally observed dip in the Li diffusivity is proposed. Configurations where a single half-filled Li-layer arranged in either a linear or a zig-zag pattern are simulated. It is found that the lowest energy phase is the zig-zag pattern rather than the linear arrangement that is currently assumed to be of lowest energy. Atomic interactions are modeled at the density-functional theory level of accuracy, and energy barriers for Li-ion diffusion are determined from searches for first order saddle points on the resulting potential energy surface. The determined saddle points reveal that the barriers for diffusion parallel and perpendicular to the zig-zag phase differ significantly and explain the observed dip in diffusivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Coordinated Collaboration between Heterogeneous Distributed Energy Resources

A power distribution feeder, where a heterogeneous set of distributed energy resources is deployed, is examined by simulation. The energy resources include PV, battery storage, natural gas GenSet, fuel cells, and active thermal storage for commercial buildings. The resource scenario considered is one that may exist in a not too distant future. Two cases of interaction between different resources are examined. One interaction involves a GenSet used to partially offset the duty cycle of a smoothing battery connected to a large PV system. The other example involves the coordination of twenty thermal storage devices, each associated with a commercial building. Storage devices are intended to provide maximum benefit to the building, but it is shown that this can have a deleterious effect on the overall system, unless the action of the individual storage devices is coordinated. A network based approach is also introduced to calculate some type of effectiveness metric to all available resources which take part in coordinated operation. The main finding is that it is possible to achieve synergy between DERs on a system; however this required a unified strategy to coordinate the action of all devices in a decentralized way.

Abdollahy, Shahin↗
DOE OSTI2021

Measurement of internal dark current in a 17 GHz accelerator structure with an elliptical sidewall

A 17 GHz single cell, standing wave, copper accelerator structure with an axisymmetric elliptical central cell sidewall was tested for internal and downstream dark current as a function of gradient up to 93 MV/m. The elliptical sidewall was predicted to suppress the internal dark current and the lower order multipactor modes as compared with a previously tested structure having a straight sidewall. During the conditioning phase of the elliptical sidewall structure, strong internal dark current generated by an N = 1 multipactor mode was observed at gradients in the 10 to 20 MV/m range. After conditioning with 2.2x10^5 pulses to 93 MV/m, the N = 1 mode was completely suppressed and no multipactor resonances were observed. The internal dark current was reduced to a comparatively low level, much smaller than in the previously studied, straight sidewall structure, in good agreement with simulations. The energy spectrum of the electrons colliding with the sidewall was measured using an isolated side dark current monitor and a bias voltage. As the conditioning progressed, the electron energy spectrum showed an increase in the concentration of lower energy electrons, also in good agreement with simulations. Studies of internal dark current may help to understand the rf conditioning and ultimate performance of high gradient accelerator structures.

43 PARTICLE ACCELERATORS↗
NASA NTRS1973

A thermal, thermoelastic, and wear simulation of a high-energy sliding contact problem

This paper describes an investigation of the sliding contact problem encountered in high-energy disk brakes. The analysis includes a simulation modeling, using the finite element method, of the thermoelastic instabilities that cause transient changes in contact to occur on the friction surface. In order to include the effect of wear of the concentrated contacts on the friction surface, a wear criterion is proposed that results in prediction of wear rates for disk brakes that are quite close to experimentally determined wear rates. The thermal analysis shows that the transient temperature distribution in a disk brake can be determined more accurately by use of this thermomechanical analysis than by a more conventional analysis that assumes constant contact conditions. It is also shown that lower, more desirable, temperatures in disk brakes can be attained by increasing the volume, the thermal conductivity, and especially, the heat capacity of the brake components.

Kennedy, F. E., Jr.↗
NASA NTRS1978

Monte Carlo solution of Boltzmann equation for a simple model of highly nonequilibrium diatomic gases: Translational rotational energy relaxation

The semiclassical transition probability was incorporated in the simulation for energy exchange between rotational and translational energy. The results provide details on the fundamental mechanisms of gas kinetics where analytical methods were impractical. The validity of the local Maxwellian assumption and relaxation time, rotational-translational energy transition, and a velocity analysis of the inelastic collision were discussed in detail.

Yoshikawa, K. K.↗
DOE OSTI2019

Combining simulations and data with deep learning and uncertainty quantification for advanced energy modeling

A novel and modern framework for energy modeling is developed in this paper with a focus on nuclear energy modeling and simulation. The framework combines multiphysics simulations and real data, with validation by uncertainty quantification tasks and facilitation by machine and deep learning methods. The hybrid framework is built on the basis of a wide range of physical models, real data, mathematical and statistical methods, and artificial intelligence techniques. The framework is demonstrated in different applications, including quantifying uncertainties in computer simulations, multiphysics coupling, analysis of variance using machine learning surrogate models, deep learning of time series phenomena, and propagating parametric uncertainties of nuclear data. The applications demonstrated are oriented to nuclear engineering simulations, even though majority of the methods are applicable to other energy sources (eg, renewable). Efficient utilization of this framework is expected to yield a much better understanding of the physical phenomena analyzed as well as an improvement in the performance of the energy design/model under construction.

42 ENGINEERING↗
NASA NTRS2004

Multi-Terrain Impact Testing and Simulation of a Composite Energy Absorbing Fuselage Section

Comparisons of the impact performance of a 5-ft diameter crashworthy composite fuselage section were investigated for hard surface, soft soil, and water impacts. The fuselage concept, which was originally designed for impacts onto a hard surface only, consisted of a stiff upper cabin, load bearing floor, and an energy absorbing subfloor. Vertical drop tests were performed at 25-ft/s onto concrete, soft-soil, and water at NASA Langley Research Center. Comparisons of the peak acceleration values, pulse durations, and onset rates were evaluated for each test at specific locations on the fuselage. In addition to comparisons of the experimental results, dynamic finite element models were developed to simulate each impact condition. Once validated, these models can be used to evaluate the dynamic behavior of subfloor components for improved crash protection for hard surface, soft soil, and water impacts.

Fasanella, Edwin L.↗
NASA NTRS2007

Multi-Terrain Impact Testing and Simulation of a Composite Energy Absorbing Fuselage Section

Comparisons of the impact performance of a 5-ft diameter crashworthy composite fuselage section were investigated for hard surface, soft soil, and water impacts. The fuselage concept, which was originally designed for impacts onto a hard surface only, consisted of a stiff upper cabin, load bearing floor, and an energy absorbing subfloor. Vertical drop tests were performed at 25-ft/s onto concrete, soft-soil, and water at NASA Langley Research Center. Comparisons of the peak acceleration values, pulse durations, and onset rates were evaluated for each test at specific locations on the fuselage. In addition to comparisons of the experimental results, dynamic finite element models were developed to simulate each impact condition. Once validated, these models can be used to evaluate the dynamic behavior of subfloor components for improved crash protection for hard surface, soft soil, and water impacts.

Fasanella, Edwin L.↗
DOE OSTI2023

Regional Carbon Emission Reduction Prediction via Retrofits of Commercial Buildings with a Case Study of US School Buildings in Hot Climates

Retrofitting commercial buildings has great potential to reduce carbon emissions as demonstrated by previous studies in some specific cities, but their regional carbon emission reduction potential is still unknown. Thus, we develop a method to predict the long-term regional carbon emission reduction potential by retrofitting commercial buildings. School buildings in hot climate zones in the continental U.S. are selected as an example. The results show that the aggregated carbon emission reduction potential of school buildings in that region reduces from 3.33 to 2.01 megatons from 2024 to 2050 due to the increased penetration of renewable energy.

building energy simulation↗
DOE OSTI2017

Evaluation of Heliostat Standby Aiming Strategies to Reduce Avian Flux Hazards and Impacts on Operational Performance

This paper presents a study of alternative heliostat standby aiming strategies and their impact on avian flux hazards and operational performance of a concentrating solar power plant. A mathematical model was developed that predicts the bird-feather temperature as a function of solar irradiance, thermal emittance, convection, and thermal properties of the feather. The irradiance distribution in the airspace above the Ivanpah Unit 2 heliostat field was simulated using a ray-trace model for two different times of the day, four days of the year, and nine different standby aiming strategies. The impact of the alternative aiming strategies on operational performance was assessed by comparing the heliostat slew times from standby position to the receiver for the different aiming strategies. Increased slew times increased a proxy start-up time that reduced the simulated annual energy production. Results showed that spreading the radial aim points around the receiver to a distance of ~150 m or greater reduced the hazardous exposure times that the feather temperature exceeded the hazard metric of 160 degrees C. The hazardous exposure times were reduced by ~23% and 90% at a radial spread of aim points extending to 150 m and 250 m, respectively, but the simulated annual energy production decreased as a result of increased slew times. Single point-focus aiming strategies were also evaluated, but these strategies increased the exposure hazard relative to other aiming strategies.

14 SOLAR ENERGY↗
DOE OSTI2018

Simulation-Based Valuation of Transactive Energy Systems

Transactive Energy (TE) has been recognized as a promising technique for integrating responsive loads and distributed energy resources as well as advancing grid modernization. To help the industry better understand the value of TE and compare different TE schemes in a systematic and transparent manner, a comprehensive simulation-based TE valuation method is developed. The method has the following salient features: 1) it formally defines the valuation scenarios, use cases, baseline and valuation metrics; 2) an open-source simulation platform for transactive energy systems has been developed by integrating transmission, distribution and building simulators, and plugin TE and non-TE agents through the Framework for Network Co-Simulation (FNCS); 3) transparency and flexibility of the valuation is enhanced through separation of simulation and valuation, base valuation metrics and final valuation metrics. In conclusion, a valuation example based on the Smart Grid Interoperability Panel (SGIP) Use Case 1 is provided to demonstrate the developed TE simulation program and the valuation method.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Mesoscale Convective Systems in a Superparameterized E3SM Simulation at High Resolution

Accurately representing mesoscale convective systems (MCSs) is crucial to simulating the energy and water cycles in global climate models. Using a novel MCS identification and tracking algorithm applied to observations and model simulations, we evaluate how well the Energy Exascale Earth System Model simulates MCSs over the central US. Simulations performed by E3SM at 25 km grid spacing with (SP-E3SM) and without (E3SM) superparameterization are compared and evaluated against observations using multiple metrics highlighting important MCS characteristics. Compared to E3SM, SP-E3SM better simulates MCS number and MCS precipitation amount, diurnal cycle, propagation, and the probability distribution of precipitation rate in both spring and summer. The improvement from SP is partly contributed by improvement in simulating the large-scale environments, featuring enhanced atmospheric low-level moisture and larger moisture transport to the central US relative to E3SM. However, SP-E3SM still underestimates MCS precipitation amount, particularly in summer. This underestimation is closely related to the negative bias in MCS precipitation intensity, although the drier environments simulated during summer also contributes to underestimation of MCS frequency. Without SP, the larger bias in MCS precipitation amount is closely related to the negative bias in MCS frequency, while the substantial dry bias in the large-scale environments also contributes to underestimation of MCS intensity. Our results suggest that SP improves MCS simulation by improving modeling of the large-scale environments and convection initiation, which are both major limiting factors in E3SM even at 25 km grid spacing where deep convection is represented by a cumulus parameterization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

Quantitative predictions of biomembrane/water partition coefficients are important, as they are a key property in pharmaceutical applications and toxicological studies. Molecular dynamics (MD) simulations are used to calculate free energy profiles for different solutes in lipid bilayers. How to calculate partition coefficients from these profiles is discussed in detail and different definitions of partition coefficients are compared. Importantly, it is shown that the calculated coefficients are in quantitative agreement with experimental results. Furthermore, we compare free energy profiles from MD simulations to profiles obtained by the recent method COSMOmic, which is an extension of the conductor-like screening model for realistic solvation to micelles and biomembranes. The free energy profiles from these molecular methods are in good agreement. Additionally, solute orientations calculated with MD and COSMOmic are compared and again a good agreement is found. Four different solutes are investigated in detail: 4-ethylphenol, propanol, 5-phenylvaleric acid, and dibenz[a,h]anthracene, whereby the latter belongs to the class of polycyclic aromatic hydrocarbons. The convergence of the free energy profiles from biased MD simulations is discussed and the results are shown to be comparable to equilibrium MD simulations. For 5-phenylvaleric acid the influence of the carboxyl group dihedral angle on free energy profiles is analyzed with MD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Beam dynamics simulations of post low energy beam transport section in RAON heavy ion accelerator

RAON (Rare isotope Accelerator Of Newness) heavy ion accelerator of the rare isotope science project in Daejeon, Korea, has been designed to accelerate multiple-charge-state beams to be used for various science programs. In the RAON accelerator, the rare isotope beams which are generated by an isotope separation on-line system with a wide range of nuclei and charges will be transported through the post Low Energy Beam Transport (LEBT) section to the Radio Frequency Quadrupole (RFQ). In order to transport many kinds of rare isotope beams stably to the RFQ, the post LEBT should be devised to satisfy the requirement of the RFQ at the end of post LEBT, simultaneously with the twiss parameters small. We will present the recent lattice design of the post LEBT in the RAON accelerator and the results of the beam dynamics simulations from it. In addition, the error analysis and correction in the post LEBT will be also described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Energy levels and zero field splitting parameter for Fe{sup 2+} doped in ZnS

The aim of present paper is to report the results on the modeling of the crystal field parameters of Fe{sup 2+} doped in host matrix ZnS, simulate the energy levels scheme and calculate the zero field splitting parameter D of such system. The crystal field parameters were modeled in the frame of the superposition model of crystal field and the simulation of the energy levels scheme and calculation of the zero field splitting parameters done by diagonalization the Hamiltonian of Fe{sup 2+}:ZnS system. The obtained results were disscused and compared with experimental data. Satisfactory agreement have been obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Imaging Enhanced Simulation Validation for Directed Energy Deposition Additive Manufacturing (Final CRADA Report – NFE-22-09107)

Directed Energy Deposition (DED) is a welding-based metal Additive Manufacturing (AM) process that relies on the programmed rastering of an electric arc or laser induced weld pool to construct a component in a layerwise fashion. The induced complex thermal field and uneven thermal contraction depends on the printed geometry and scan pattern, and as such, accumulated residual stresses and distortions are complex and difficult to predict. Several prior works have resulted in tools to combat this issue; ANSYS has developed a thermoplastic simulation package targeting DED AM, and ORNL has developed an in-situ imaging sensor package ‘Stereo Correlated Optical and Pyrometric System’ (SCOPS) that can spatially monitor temperature and full field strain. In this CRADA, these tools are compared in order to validate the results and complimentarily address the weaknesses in each other.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Contribution of Infiltration Process Uncertainty on the Simulation of Terrestrial Water and Energy Budgets

The infiltration step is the major forking point of precipitation partition in land surface models, which plays a more significant role than canopy interception for simulating water and energy budgets.In this study, we found significant differences in water and energy-related outputs amount JULES, Noah, Noah-MP, and VIC. The differences are directly or indirectly related to the infiltration components in the models. Those differences add uncertainties to the applications of land surface models. Thorough evaluations are needed to determine the reliability of infiltration schemes used in these models.

Wang, Shugong↗