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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Superaging and Subaging Phenomena in a Nonequilibrium Critical Behavior of the Structurally Disordered Two-Dimensional XY Model

A Monte Carlo numerical simulation of the specific features of nonequilibrium critical behavior is carried out for the two-dimensional structurally disordered XY model during its evolution from a low-temperature initial state. On the basis of the analysis of the two-time dependence of autocorrelation functions and dynamic susceptibility for systems with spin concentrations of p = 1.0, 0.9, and 0.6, aging phenomena characterized by a slowing down of the relaxation system with increasing waiting time and the violation of the fluctuation–dissipation theorem (FDT) are revealed. The values of the universal limiting fluctuation–dissipation ratio (FDR) are obtained for the systems considered. As a result of the analysis of the two-time scaling dependence for spin–spin and connected spin autocorrelation functions, it is found that structural defects lead to subaging phenomena in the behavior of the spin–spin autocorrelation function and superaging phenomena in the behavior of the connected spin autocorrelation function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Understanding Redox Organic Behavior in Deep Eutectic Solvents: Considerations for Molecular Design

Electrolytes based on deep eutectic solvents (DESs) coupled with redox active organic molecules have shown potential as a versatile and energy dense electrochemical energy storage system. However, progress in these systems has been held back by a lack of understanding of the irregular behavior displayed when redox active organic molecules are transitioned from other solvent systems. In this work, the hydrogen bonding characteristics of a series of redox organic molecules were investigated through infrared spectroscopy and molecular modeling. New understanding of these interactions was then used to explain their electrochemical behavior in a DES electrolyte. A model was used to predict the behavior of new derivatives towards the design of an optimized redox organic-DES system. Hydrogen bonding between the redox molecules and the solvent was found to significantly shift the potential of a redox reaction more positive when a hydrogen bond forms at the redox active site. It was predicted that functionalizing a molecule with electron withdrawing groups to lower the electron density of the redox active functional group lowers the strength of the hydrogen bond and thus alleviates the undesirable potential shift. This hypothesis was demonstrated by the addition of nitro groups to fluorenones.

25 ENERGY STORAGE↗
DOE OSTI2013

Long-Term Behavior of the Atlantic Interhemispheric SST Gradient in the CMIP5 Historical Simulations

Multidecadal and longer changes to the Atlantic interhemispheric sea surface temperature gradient (AITG) in phase 5 of the Coupled Model Intercomparison Project (CMIP5) historical simulations are investigated. Observations show a secular trend to this gradient over most of the twentieth century, with the southern lobe warming faster relative to its northern counterpart. A previous study of phase 3 of the CMIP (CMIP3) suggests that this trend is partially forced by anthropogenic sulfate aerosols. This analysis collectively confirms the partially forced trend for the CMIP5 and by anthropogenic aerosols. Like the CMIP3, the CMIP5 also simulates a reversal in the AITG trend in the late 1970s, which was attributed to a leveling offof the anthropogenic aerosol influence and increased influence of greenhouse gases in the late twentieth century. Two (of 25) CMIP5 models, however, systematically simulate a twentieth-century trend opposite to observed, leading to some uncertainty regarding the forced nature of the AITG trend. Here, the observed AITG also exhibits a pronounced multidecadal modulation on top of the trend, associated with the Atlantic multidecadal oscillation (AMO). Motivated by a recent suggestion that the AMO is a forced response to aerosols, the causes of this multidecadal behavior were also examined. A few of the CMIP5 models analyzed do produce multidecadal AITG variations that are correlated to the observed AMO-like variation, but only one, the Hadley Centre Global Environmental Model, version 2 (HadGEM2), systematically simulates AMO-like behavior with both the requisite amplitude and phase. The CMIP5 simulations thus point to a robust aerosol influence on the historical AITG trend but not to the AMO-like multidecadal behavior.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Relaxation behavior in low-frequency complex conductivity of sands caused by bacterial growth and biofilm formation by Shewanella oneidensis under a high-salinity condition

Complex electrical conductivity is increasingly used to monitor subsurface processes associated with microbial activities because microbial cells mostly have surface charges and thus electrical double layers. Although highly saline environments are frequently encountered in coastal and marine sediments, there are limited data available on the complex conductivity associated with microbial activities under a high-salinity condition. Therefore, we have developed the spectral responses of complex conductivity of sand associated with bacterial growth and biofilm formation under a highly saline condition of approximately 1% salinity and approximately 2 S/m pore water conductivity with an emphasis on relaxation behavior. A column test is performed, in which the model bacteria Shewanella oneidensis MR-1 are stimulated for cell growth and biofilm formation in a sand pack, whereas the complex conductivity is monitored from 0.01 Hz to 10 kHz. The test results indicate that the real conductivity increases in the early stage due to the microbial metabolites and the increased surface conduction with cell growth but soon begin to decrease because of the reduction of charge passages due to bioclogging. However, the imaginary conductivity significantly increases with time, and clear bell-shaped relaxation behaviors are observed with the peak frequency of 0.1–1 Hz, associated with the double-layer polarization of cells and electrically conductive pili and biofilms. The Cole-Cole relaxation model appears to capture such relaxation behaviors well, and the modeling results indicate gradual increases in normalized chargeability and decreases in relaxation time during bacterial growth and biofilm formation in the highly saline condition. Comparison with previous literature confirms that the high-salinity condition further increases the normalized chargeability, whereas it suppresses the phase shift and thus the imaginary conductivity. Our results suggest that the complex conductivity can effectively capture microbial biomass formation in sands under a highly saline condition.

58 GEOSCIENCES↗
DOE OSTI2015

Effect of tritium on corrosion behavior of chromium in 0.01 N sulfuric acid solution

The effects of tritium on the corrosion behavior of chromium in 0.01 N sulfuric solution have been investigated in the present study. Electrochemical experiments have been carried our for pure chromium. At first, the concentration dependence of sulfuric acid solution on anodic polarization behavior of chromium was experimented, resulting in that 0.01 N one was found appropriate. The dependence of both dissolved oxygen and tritium concentration on anodic behavior of chromium were performed. It was found from that the self-passivation of chromium induced by dissolved oxygen was inhibited in tritiated solution resulting in the enhancement of the corrosion. As a consequence it is highly likely that the elution of chromium by highly oxidative radiolysis products would explain the passivation inhibitory effect of SUS304 stainless steel observed in tritiated solutions.

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

Constitutive Models for the Viscoelastic Behavior of Polyimide Membranes at Room and Deep Cryogenic Temperatures

Targets for ICF shots on NIF typically use ~500nm thin polyimide films with a coating of 25nm of aluminum as windows that seal the laser entrance hole or LEH. Their role is to contain the hohlraum gas and minimize the extraneous infra-red radiation getting in. This is necessary to precisely control the hohlraum thermal environment for layering inside the capsule with solid deuterium-tritium at 18K. Here, we use our empirical data on the bulging behavior of these foils under various different conditions to develop models to capture the complex viscoelastic behavior of these films at both ambient and cryogenic temperatures. The constitutive equations derived from these models give us the ability to quantitatively specify the film’s behavior during the fielding of these targets and set the best parameters for new target designs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Monitoring the impact of confinement on hyphal penetration and fungal behavior

Through their expansive mycelium network, soil fungi alter the physical arrangement and chemical composition of their local environment. This can significantly impact bacterial distribution and nutrient transport and can play a dramatic role in shaping the rhizosphere around a developing plant. However, direct observation and quantitation of such behaviors is extremely difficult due to the opacity and complex porosity of the soil microenvironment. In this study, we demonstrate the development and use of an engineered microhabitat to visualize fungal growth in response to varied levels of confinement. Microfluidics were fabricated using photolithography and conventional soft lithography, assembled onto glass slides, and prepared to accommodate fungal cultures. Selected fungal strains across three phyla (Ascomycota: Morchella sextalata , Fusarium falciforme ; Mucoromycota: Linnemannia elongata , Podila minutissima , Benniella ; Basidiomycota: Laccaria bicolor , and Serendipita sp.) were cultured within microhabitats and imaged using time-lapse microscopy to visualize development at the mycelial level. Fungal hyphae of each strain were imaged as they penetrated through microchannels with well-defined pore dimensions. The hyphal penetration rates through the microchannels were quantified via image analysis. Other behaviors, including differences in the degree of branching, peer movement, and tip strength were also recorded for each strain. Our results provide a repeatable and easy-to-use approach for culturing fungi within a microfluidics platform and for visualizing the impact of confinement on hyphal growth and other fungal behaviors pertinent to their remodeling of the underground environment.

Guo, Yi-Syuan (ORCID:0000000340142225)↗
DOE OSTI2011

Neuroimaging for drug addiction and related behaviors

In this review, we highlight the role of neuroimaging techniques in studying the emotional and cognitive-behavioral components of the addiction syndrome by focusing on the neural substrates subserving them. The phenomenology of drug addiction can be characterized by a recurrent pattern of subjective experiences that includes drug intoxication, craving, bingeing, and withdrawal with the cycle culminating in a persistent preoccupation with obtaining, consuming, and recovering from the drug. In the past two decades, imaging studies of drug addiction have demonstrated deficits in brain circuits related to reward and impulsivity. The current review focuses on studies employing positron emission tomography (PET), functional magnetic resonance imaging (fMRI), and electroencephalography (EEG) to investigate these behaviors in drug-addicted human populations. We begin with a brief account of drug addiction followed by a technical account of each of these imaging modalities. We then discuss how these techniques have uniquely contributed to a deeper understanding of addictive behaviors.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2019

Oxygen Effects on Solidification Behavior of Gas Tungsten Arc–Welded Laser Powder Bed Fusion–Fabricated 304L Stainless Steel

ct The laser – powder bed fusion (L-PBF) process inherently accumulates interstitial gas elements during powder fabrication and laser deposition processes. Such elements can lead to localized variations in the weld pool and affect the solidification behavior (when compared with its wrought equivalent), in addition to chemical micro-segregation within the fabricated material. This study was conducted to characterize the solidification behavior of gas tungsten arc welds made on L-PBF 304L stainless steel. The effect of surface active elements on the local solidification rates was studied. An emphasis was placed on the role local solidification rates and temperature gradients throughout the weld play on the resultant weld solidification structure and micro-segregation. It was determined that gas tungsten arc welds on L-PBF 304L stainless steel exhibited a vermicular ferrite solidification structure compared to a mix of vermicular and lathy ferrite structure in wrought 304L. The varying thermal gradients affected the solidification modes and partitioning of elements leading to fluctuations of micro-segregation in the L-PBF 304L. Macroscopically, such partitioning affected the surface tension within the weld pool, producing asymmetric weld pool geometries. The compositional differences between wrought and L-PBF fabricated 304L stainless steels resulted in irregular solidification behaviors during welding affecting the final weld microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Mechanical behavior at high temperatures of highly oxygen- or hydrogen-enriched α and prior-β phases of Zirconium alloys - 2016-0063

During a hypothetical loss-of-coolant accident, zirconium alloy fuel claddings can be loaded by internal pressure and exposed to steam at high temperatures (HTs) up to 1,200 deg. C and then cooled and quenched in water. A significant fraction of the oxygen that reacts with the cladding during HT oxidation diffuses beneath the oxide through the metallic substrate. This induces a progressive transformation of the metallic β{sub Zr}-phase layer into an intermediate layer of α{sub Zr}(O) phase containing up to 7 weight % (wt.%) oxygen. Furthermore, in some specific conditions, the cladding may rapidly absorb a significant amount of hydrogen during steam exposition at HTs. As a β{sub Zr} stabilizer, hydrogen would mainly diffuse and concentrate up to several thousands of parts per million by weight (wppm) into the inner β{sub Zr}-phase layer. This study intends to provide new and more comprehensive data on the HT mechanical behavior of the α{sub Zr}(O) and (prior-)β{sub Zr} phases containing high contents of oxygen and hydrogen, respectively. Model samples produced from M5{sup R} and Zircaloy-4 cladding tubes homogeneously charged in oxygen (less than or equal to 6 wt.%) and hydrogen (less than or equal to 3,000 wppm), respectively, were prepared. Their mechanical behavior was determined under vacuum between 800 and 1,100 deg. C for the oxygen-enriched α{sub Zr} phase and in air between 700 and 20 deg. C after cooling from the β{sub Zr} temperature domain for the hydrogen-enriched (prior-)β{sub Zr} phase. The α{sub Zr} phase was substantially strengthened and embrittled by oxygen. The contribution of the α{sub Zr}(O) layer to the HT creep behavior of an oxidized fuel cladding tube subjected to internal pressure is evaluated by finite element analysis. Mechanical strength and ductility of the model (prior-)β{sub Zr} phase appear to be affected by hydrogen contents of 2000-3000 wppm in ways that depend on temperature. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fatigue and Fracture Behavior of Additively Manufactured Austenitic Stainless Steel

Additive manufacturing (AM) includes a diverse suite of innovative manufacturing processes for producing near-net shape components, typically from powder or wire feedstock. Reported mechanical properties of AM materials vary significantly depending on the details of the manufacturing process and the characteristics of the processing defects (namely, lack of fusion defects). However, an excellent combination of strength, ductility and fracture resistance can be achieved in AM type 304L and 316L austenitic stainless steels by minimizing processing defects. It is also important to recognize that localized solidification processing during AIVI produces microstructures more analogous to weld microstructures than wrought microstructures. Consequently, the mechanical behavior of AM austenitic stainless steels in harsh environments can diverge from the performance of wrought materials. This report gives an overview of the fracture and fatigue response of type 304L materials from both directed energy deposition (DED) and powder bed fusion (PBF) techniques. In particular, the mechanical performance of these materials is considered for high-pressure hydrogen applications by evaluating fatigue and fracture resistance after thermally precharging of test specimens in high-pressure gaseous hydrogen. The mechanical behaviors are considered with respect to previous reports on hydrogen-assisted fracture of austenitic stainless steel welds and the unique characteristics of the AM microstructures. Fatigue crack growth can be relatively insensitive to processing defects, displaying similar behavior as wrought materials. Fracture resistance of dense AM austenitic stainless steel, on the other hand, is more consistent with weld metal than with compositionally-similar wrought materials. Hydrogen effects in the AM materials are generally more severe than in wrought materials, but comparable to measurements on welded austenitic stainless steels in hydrogen environments. While hydrogenassisted fracture manifests differently in welded and AM austenitic stainless steel, the fracture process appears to have a common origin in the compositional microsegregation intrinsic to solidification processes.

additive manufacturing, austenitic stainless steel↗
DOE OSTI2018

Irradiation responses and defect behavior of single-phase concentrated solid solution alloys

Single-phase concentrated solid solution alloys (SP-CSAs) are newly emerging advanced structural materials, which are defined as multiprincipal element solid solutions. SP-CSAs with more than four components in equimolar or near-equimolar ratios are also referred to as high-entropy alloys due to their high configurational entropy. SP-CSAs are potential structural materials in advanced nuclear energy systems due to their attractive mechanical properties. Therefore many investigations have been carried out to study the irradiation-induced structural damage and defect behavior in SP-CSAs. This paper reviews recent experimental results on the irradiation responses of various SP-CSAs, focusing on the accumulation of irradiation-induced structural damage, void swelling resistance, and solute segregation behavior. In addition, the characteristic defect behavior in SP-CSAs derived from ab initio and molecular dynamics simulations, as well as the challenges in the applications of SP-CSAs for the nuclear energy systems are briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimizing thermal stability and mechanical behavior in segregation-engineered nanocrystalline Al–Ni–Ce alloys: A combinatorial study

The deliberate use of solute enrichment at grain boundaries, otherwise known as segregation engineering, is a promising approach to tailor the properties of interface-dominated materials such as nanocrystalline alloys. Here, the ensuing chemical and structural evolution at grain boundaries can give rise to thermal stability and excellent mechanical properties, but the interplay between enrichment, phase decomposition, grain growth, and mechanical behavior exists in a vast composition and processing space. In this study, a combinatorial synthesis and rapid characterization approach was applied to segregation-engineered nanocrystalline Al–Ni–Ce alloys to assess the evolution of microstructure and resulting mechanical behavior as functions of alloying content and annealing conditions. In addition to the identification of alloys and processing conditions that give rise to exceptional thermal stability, strength retention, and homogeneous plastic flow, we construct combined thermal stability and deformation mechanism maps that demarcate several important regimes of behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Fundamental Processes of Coupled Radiation Damage and Mechanical Behavior in Nuclear Fuel Materials for High Temperature Reactors

The objective of this work has been to elucidate the relationship among microstructure, radiation damage and mechanical properties for nuclear fuel materials. As representative nuclear materials, we have taken an hcp metal (Mg as a generic metal, and Ti alloys for fast reactors) and UO2 (representing fuel). The degradation of the thermo-mechanical behavior of nuclear fuels under irradiation, both the fissionable material itself and its cladding, is a longstanding issue of critical importance to the nuclear industry. There are experimental indications that nanocrystalline metals and ceramics may be more resistant to radiation damage than their coarse-grained counterparts. The objective of this project look at the effect of microstructure on radiation damage and mechanical behavior in these materials. The approach to be taken was state-of-the-art, large-scale atomic-level simulation. This systematic simulation program of the effects of irradiation on the structure and mechanical properties of polycrystalline Ti and UO2 identified radiation damage mechanisms. Moreover, it will provided important insights into behavior that can be expected in nanocrystalline microstructures and, by extension, nanocomposites. The fundamental insights from this work can be expected to help in the design microstructures that are less susceptible to radiation damage and thermomechanical degradation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Hybrid AI/Cognitive Tactical Behavior Framework for LVC (LDRD Project Final Report)

This Lab-Directed Research and Development (LDRD) sought to develop technology that enhances scenario construction speed, entity behavior robustness, and scalability in Live-Virtual-Constructive (LVC) simulation. We investigated issues in both simulation architecture and behavior modeling. We developed path-planning technology that improves the ability to express intent in the planning task while still permitting an efficient search algorithm. An LVC simulation demonstrated how this enables 'one-click' layout of squad tactical paths, as well as dynamic re-planning for simulated squads and for real and simulated mobile robots. We identified human response latencies that can be exploited in parallel/distributed architectures. We did an experimental study to determine where parallelization would be productive in Umbra-based force-on-force (FOF) simulations. We developed and implemented a data-driven simulation composition approach that solves entity class hierarchy issues and supports assurance of simulation fairness. Finally, we proposed a flexible framework to enable integration of multiple behavior modeling components that model working memory phenomena with different degrees of sophistication.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

User's Manual for the RealGasBrine v1.0 Option of TOUGH+ v1.5: A Code for the Simulation of System Behavior in Gas-Bearing Geologic Media

REALGASBRINE v1.0 is a numerical code that for the simulation of the behavior of gas-bearing porous and/fractured geologic media. It is an option of TOUGH+ v1.5 [Moridis, 2014], a successor to the TOUGH2 [Pruess et al., 1999] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. REALGASBRINE v1.0 needs the TOUGH+ v1.5 core code in order to compile and execute. It is written in standard FORTRAN 95/2003, and can be run on any computational platform (workstation, PC, Macintosh) for which such compilers are available. REALGASBRINE v1.0 describes the non-isothermal two- (for pure water) or three-phase (for brine) flow of an aqueous phase and a real gas mixture in a gas-bearing medium, with a particular focus in ultra-tight (such as tight-sand and shale gas) systems. Up to 12 individual real gases can be tracked, and salt can precipitate as solid halite. The capabilities of the code include coupled flow and thermal effects, real gas behavior, Darcy and non-Darcy flow, several isotherm options of gas sorption onto the grains of the porous media, complex fracture descriptions, gas solubility into water, and geomechanical effects on flow properties. REALGASBRINE v1.0 allows the study of flow and transport of fluids and heat over a wide range of time frames and spatial scales not only in gas reservoirs, but also in any problem involving the flow of gases in geologic media, including the geologic storage of greenhouse gas mixtures, the behavior of geothermal reservoirs with multi-component condensable (H 2 O and CO 2 ) and non-condensable gas mixtures, the transport of water and released H 2 in nuclear waste storage applications, etc.

15 GEOTHERMAL ENERGY↗
DOE OSTI2013

Summary of Utility Studies: Smart Grid Investment Grant Consumer Behavior Study Analysis

The U.S. Department of Energy’s (DOE’s) Smart Grid Investment Grant (SGIG) program is working with a subset of the 99 SGIG projects to assess the response of mass market consumers (i.e., residential and small commercial customers) to time-varying electricity prices (referred to herein as time-based rate programs) in conjunction with the deployment of advanced metering infrastructure (AMI) and associated technologies. The effort provides an opportunity to advance the electric industry’s understanding of consumer behavior. In addition, DOE is attempting to apply a consistent study design and analysis framework for the SGIG Consumer Behavior Studies (CBS). The aim is to collect information across the studies on variables and impacts that have been defined in a consistent manner. This will enable Lawrence Berkeley National Lab (LBNL), as DOE’s principal investigator for these Consumer Behavior Studies, to leverage the data from the individual studies and conduct comparative analysis of the impacts of AMI, time-based rate programs and enabling technologies that facilitate customer control, automation and information/feedback on customer energy usage.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

American Recovery and Reinvestment Act of 2009. Experiences from the Consumer Behavior Studies on Engaging Customers

One of the most important aspects for the successful implementation of customer-facing programs is to better understand how to engage and communicate with consumers. Customer-facing programs include time-based rates, information and feedback, load management, and energy efficiency. This report presents lessons learned by utilities through consumer behavior studies (CBS) conducted as part of the Department of Energy’s (DOE) Smart Grid Investment Grant (SGIG) program. The SGIG CBS effort presents a unique opportunity to advance the understanding of consumer behaviors in terms of customer acceptance and retention, and electricity consumption and peak demand impacts. The effort includes eleven comprehensive studies with the aim of evaluating the response of residential and small commercial customers to time-based rate programs implemented in conjunction with advanced metering infrastructure and customer systems such as in-home displays, programmable communicating thermostats, and web portals. DOE set guidelines and protocols that sought to help the utilities design studies that would rigorously test and more precisely estimate the impact of time-based rates on customers’ energy usage patterns, as well as identify the key drivers that motivate behavioral changes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗