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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

H2@Scale Resource and Market Analysis

This presentation overviews progress to date on the H2@Scale resource and market analysis work. The work finds, for example, that hydrogen demand of 60 MMT/yr is possible when transportation and industry are considered; resources are available to meet that demand; using renewable resources would reduce emissions and fossil use by over 15%; further impacts are possible when considering synergistic benefits; additional analysis is underway to improve understanding of potential markets and synergistic impacts; and further analysis will be necessary to estimate impacts due to spatial characteristics, feedback effects in the economy, and inertia characteristics.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Toward an Understanding of Linear Scaling Relations through Energy Decomposition Analysis

The discovery of linear scaling relations has fundamentally changed the field of heterogeneous catalysis. The scaling relations have been rationalized based on the d-band theory, specifically a separation of sp and d electron contributions to adsorption energies. Within the framework of energy decomposition analysis, a full understanding of such a separation would require one to further break down the adsorption energy into distinct energy components such as electrostatics, polarization, charge transfer, and van der Waals interactions, and to examine the sp and d contributions to each of them. As a step in this direction, we analyzed the interaction energy between CH x (x = 1–4) adsorbates and fcc(100) transition metal surfaces (M = Cu, Ag, Au, Rh, and Pt), with the surfaces represented both as slabs in plane-wave density functional theory (pw-DFT) calculations and as atomic clusters in atomic-orbital basis density functional theory (ao-DFT) calculations. Through an absolutely localized molecular orbital (ALMO) based energy decomposition analysis of the ao-DFT adsorption energy, each of the interaction energy components (electrostatics, polarization, van der Waals, and charge transfer) was found to follow its own scaling relations, with an intricate interplay among these energy components yielding the overall scaling relations for the total adsorption energies. Using the recently introduced ALMO-based polarization and charge-transfer analysis schemes, we further dissected polarization into metal surface and adsorbate contributions, and charge transfer into metal → adsorbate and adsorbate → metal contributions. The contributions from the sp and d electrons of the metal to these terms were further quantified, and the dominant role of the metal d electrons was reaffirmed. These results shed light on how CHx adsorbates interact with metal surfaces and further reveal the physical origin of the scaling relations.

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

Quinone 1 e – and 2 e – /2 H + Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships

Quinones participate in diverse electron transfer and proton-coupled electron transfer processes in chemistry and biology. To understand the relationship between these redox processes, an experimental study was carried out to probe the 1 e – and 2 e – /2 H + reduction potentials of a number of common quinones. The results reveal a non-linear correlation between the 1 e – and 2 e – /2 H + reduction potentials. This unexpected observation prompted a computational study of 134 different quinones, probing their 1 e – reduction potentials, p K a values, and 2 e – /2 H + reduction potentials. We report the density functional theory calculations reveal an approximately linear correlation between these three properties and an effective Hammett constant associated with the quinone substituent(s). However, deviations from this linear scaling relationship are evident for quinones that feature intramolecular hydrogen bonding, halogen substituents, charged substituents, and/or sterically bulky substituents. These results, particularly the different substituent effects on the 1 e – versus 2 e – /2 H + reduction potentials, have important implications for designing quinones with tailored redox properties.

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

Reducing Waste in Extreme Scale Systems through Introspective Analysis

Resilience is an important challenge for extreme- scale supercomputers. Today, failures in supercomputers are assumed to be uniformly distributed in time. However, recent studies show that failures in high-performance computing systems are partially correlated in time, generating periods of higher failure density. Our study of the failure logs of multiple supercomputers show that periods of higher failure density occur with up to three times more than the average. We design a monitoring system that listens to hardware events and forwards important events to the runtime to detect those regime changes. We implement a runtime capable of receiving notifications and adapt dynamically. In addition, we build an analytical model to predict the gains that such dynamic approach could achieve. We demonstrate that in some systems, our approach can reduce the wasted time by over 30%.

Bautista-Gomez, Leonardo↗
DOE OSTI2022

Validation Analysis of Medium-Scale Methanol Pool Fire Simulated in SIERRA/Fuego [Slides]

Analysis of methanol pool fire conducted as part of validation study for SIERRA/Fuego. Results showed trends & errors consistent with related studies. Area validation metric provides way to quantify model form uncertainty. AVM shows that more work could be done to understand how model form uncertainty varies with mesh resolution. There is a possible atypical use of MAVM on time-series data. AVM shows mismatch between predicted flame height and experimental value less sensitive to variations in mixture fraction than temperature. Mismatch about experimental value also more symmetric for mixture fraction. Our analysis showed that mixture fraction is preferable for this application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

SCALE inventory and reactivity analysis as part of the Hermes 2021 PSAR review

The readiness of SCALE for comprehensive studies of pebble-bed reactors has been demonstrated through detailed analysis of a fluoride salt–cooled, high-temperature pebble-bed reactor (PB-FHR). The methods developed for pebble-bed reactor modeling in SCALE, particularly for inventory generation, have proven effective in gaining insights into the reactor physics of this advanced reactor. Excellent agreement with another code package has been observed, further highlighting SCALE’s strong performance. The SCALE results supported the US Nuclear Regulatory Commission’s construction permit application review of the Hermes low-power PB-FHR demonstration reactor. A SCALE model of the Hermes reactor was developed at Oak Ridge National Laboratory using information from the Preliminary Safety Analysis Report (PSAR) and supplemented with publicly available data. SCALE reactivity coefficient simulations reproduced PSAR results within 1σ statistical uncertainties. Sensitivity studies emphasized the importance of graphite specifications for accurate keff predictions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2013

Residence Time Distribution Measurement and Analysis of Pilot-Scale Pretreatment Reactors for Biofuels Production: Preprint

Measurement and analysis of residence time distribution (RTD) data is the focus of this study where data collection methods were developed specifically for the pretreatment reactor environment. Augmented physical sampling and automated online detection methods were developed and applied. Both the measurement techniques themselves and the produced RTD data are presented and discussed.

09 BIOMASS FUELS↗
DOE OSTI2025

Long‐Term Large‐Scale Atmospheric Forcing Data From Three‐Dimensional Constrained Variational Analysis for the ARM SGP Site

Here, this study presents a long‐term three‐dimensional large‐scale forcing data set (VARANAL3D) derived from the three‐dimensional constrained variational analysis (3DCVA) method at the Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) site from 2004 to 2018. Building on the same input data sets as the conventional continuous forcing data set (VARANAL), VARANAL3D maintains overall consistency in domain‐averaged fields while introducing spatial variability, offering critical insights into the influence of mesoscale synoptic systems on cloud‐related processes. Evaluations are conducted across four cloud and precipitation regimes: Clear‐sky, Shallow‐clouds, Afternoon‐precipitation, and Nocturnal‐precipitation, presenting high consistency of the domain‐mean forcing data sets while emphasizing the role of subdomain forcing variability particularly in precipitating regimes. Single column model (SCM) simulations demonstrate that subdomain VARANAL3D forcing improves cloud and precipitation representation, with the ensemble outperforming domain‐mean forcing in three cloudy and precipitating regimes. Overall, these results highlight VARANAL3D's value for investigating the impacts of spatial variability of large‐scale forcing on atmospheric processes. The VARANAL3D data set provides new opportunities for evaluating model physics, advancing the development of scale‐aware parameterizations and deepening our understanding of cloud and precipitation dynamics.

Environmental sciences↗
DOE OSTI2024

Material Recovery Facilities (MRFs) in the United States: Operations, revenue, and the impact of scale

An analysis was conducted using nationwide survey data to evaluate how material recovery facilities (MRFs) operations vary regionally and with scale. The survey characterized materials, processes, and energy use involved with operations, and revenue for recyclables. This is the first nationwide analysis of MRFs in the US that accounts for mass processed, energy consumed, and revenue. Of a population of 521 MRFs, 48 responses representing MRFs from five US regions were received and analyzed (9.2 % response rate). Responses were analyzed by size according to yearly mass of inbound materials (small: <1,000 Mg/year, medium: 1,000–10,000 Mg/year, and large: >10,000 Mg/year). Most MRFs identify as single-stream; source from residences; utilize tipping floors, picking lines, baling and warehousing; and are powered by electricity. Most revenue and inbound mass (>50%) came from fiber (cardboard and paper). Glass had little revenue, and plastics were difficult to transition to market. Percent residue ranged from 1-39%, averaged <20%, and increased as the mass of inbound material increased. Large MRFs reported more sources of material, employed advanced sorting technology, had greater plastics revenue (33% versus 5% for small MRFs), and had more market access for plastics compared to small MRFs. Large MRFs had two orders of magnitude less annual electricity consumption per Mg recyclables than small MRFs (5–90 kWh/Mg versus ∼300–550 kWh/Mg). Results demonstrate environmental and economic benefits of larger-scale MRFs, which could be implemented more broadly in the US through regional hub-and-spoke arrangements for collecting and processing recyclables, lowering energy consumption and increasing revenue for recyclables.

Hub-and-Spoke↗
NASA NTRS1999

Multi-Body Analysis of the 1/5 Scale Wind Tunnel Model of the V-22 Tiltrotor

The paper presents a multi-body analysis of the 1/5 scale wind tunnel model of the V-22 tiltrotor, the Wing and Rotor Aeroelastic Testing System (WRATS), currently tested at NASA Langley Research Center. An original multi-body formulation has been developed at the Dipartimento di Ingegneria Aerospaziale of the Politecnico di Milano, Italy. It is based on the direct writing of the equilibrium equations of independent rigid bodies, connected by kinematic constraints that result in the addition of algebraic constraint equations, and by dynamic constraints, that directly contribute to the equilibrium equations. The formulation has been extended to the simultaneous solution of interdisciplinary problems by modeling electric and hydraulic networks, for aeroservoelastic problems. The code has been tailored to the modeling of rotorcrafts while preserving a complete generality. A family of aerodynamic elements has been introduced to model high aspect aerodynamic surfaces, based on the strip theory, with quasi-steady aerodynamic coefficients, compressibility, post-stall interpolation of experimental data, dynamic stall modeling, and radial flow drag. Different models for the induced velocity of the rotor can be used, from uniform velocity to dynamic in flow. A complete dynamic and aeroelastic analysis of the model of the V-22 tiltrotor has been performed, to assess the validity of the formulation and to exploit the unique features of multi-body analysis with respect to conventional comprehensive rotorcraft codes; These are the ability to model the exact kinematics of mechanical systems, and the possibility to simulate unusual maneuvers and unusual flight conditions, that are particular to the tiltrotor, e.g. the conversion maneuver. A complete modal validation of the analytical model has been performed, to assess the ability to reproduce the correct dynamics of the system with a relatively coarse beam model of the semispan wing, pylon and rotor. Particular care has been used to model the kinematics of the gimbal joint, that characterizes the rotor hub, and of the control system, consisting in the entire swashplate mechanism. The kinematics of the fixed and the rotating plates have been modeled, with variable length control links used to input the controls, the rotating flexible links, the pitch horns and the pitch bearings. The investigations took advantage of concurring wind tunnel test runs, that were performed in August 1998, and allowed the acquisition of data specific to the multi-body analysis.

Ghiringhelli, G. L.↗
DOE OSTI2017

Probing Microplasticity in Small-Scale FCC Crystals via Dynamic Mechanical Analysis

In small-scale metallic systems, collective dislocation activity has been correlated with size effects in strength and with a steplike plastic response under uniaxial compression and tension. Yielding and plastic flow in these samples is often accompanied by the emergence of multiple dislocation avalanches. Dislocations might be active preyield, but their activity typically cannot be discerned because of the inherent instrumental noise in detecting equipment. We apply alternate current load perturbations via dynamic mechanical analysis during quasistatic uniaxial compression experiments on single crystalline Cu nanopillars with diameters of 500 nm and compute dynamic moduli at frequencies 0.1, 0.3, 1, and 10 Hz under progressively higher static loads until yielding. By tracking the collective aspects of the oscillatory stress-strain-time series in multiple samples, we observe an evolving dissipative component of the dislocation network response that signifies the transition from elastic behavior to dislocation avalanches in the globally preyield regime. We postulate that microplasticity, which is associated with the combination of dislocation avalanches and slow viscoplastic relaxations, is the cause of the dependency of dynamic modulus on the driving rate and the quasistatic stress. We construct a continuum mesoscopic dislocation dynamics model to compute the frequency response of stress over strain and obtain a consistent agreement with experimental observations. The results of our experiments and simulations present a pathway to discern and quantify correlated dislocation activity in the preyield regime of deforming crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Construction, wind tunnel testing and data analysis for a 1/5 scale ultra-light wing model

This report documents the construction, wind tunnel testing, and data analysis of a 1/5 scale ultra-light wing section. Wind tunnel testing provided accurate and meaningful lift, drag, and pitching moment data. This data was processed and graphically presented as follows: C(sub L) vs. gamma; C(sub D) vs. gamma; C(sub M) vs. gamma; and C(sub L) vs. C(sub D). The wing fabric flexure was found to be significant and its possible effects on aerodynamic data was discussed. The fabric flexure is directly related to wing angle of attack and airspeed. Different wing section shapes created by fabric flexure are presented with explanations of the types of pressures that act upon the wing surface. This report provides conclusive aerodynamic data for ultra-light wings.

James, Michael D.↗
DOE OSTI2016

Unique attributes of cyanobacterial metabolism revealed by improved genome-scale metabolic modeling and essential gene analysis

Significance Genome-scale models of metabolism are important tools for metabolic engineering and production strain development. We present an experimentally validated and manually curated model of metabolism in Synechococcus elongatus PCC 7942 that ( i ) leads to discovery of unique metabolic characteristics, such as the importance of a truncated, linear TCA pathway, ( ii ) highlights poorly understood areas of metabolism as exemplified by knowledge gaps in nucleotide salvage, and ( iii ) accurately quantifies light input and self-shading. We now have a metabolic model that can be used as a basis for metabolic design in S. elongatus .

09 BIOMASS FUELS↗