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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effects of Mineral Surface Properties on Supercritical CO 2 Wettability in a Siliciclastic Reservoir

Wettability is a key reservoir characteristic influencing geological carbon sequestration (GCS) processes, such as CO 2 transport and storage capacity. Wettability is often determined on a limited number of reservoir samples by measuring the contact angle at the CO 2 /brine/mineral interface, but the ability to predict this value remains a challenge. In this work, minerals comprising a natural reservoir sample were identified, and the influence of their surface roughness and mineralogy on the contact angle was quantified to evaluate predictive models and controlling mechanisms. The natural sample was obtained from the Mount Simon formation, a representative siliciclastic reservoir that is the site of a United States Department of Energy CO 2 injection project. A thin section of the Mount Simon sandstone was examined with compound light microscopy and environmental scanning electron microscopy (ESEM) coupled with energy-dispersive X-ray spectroscopy (EDS). Quartz and feldspar were identified as dominant minerals and were coated with various reddish black precipitates consistent with illite clay and iron oxide hematite. Contact angle (θ) measurements were conducted for the four representative minerals and the Mount Simon sample over a range of pressures (2–25 MPa) at 40 °C. At supercritical conditions, all samples are strongly water-wet, with contact angles between 27° and 45°. Several predictive models for contact angle were evaluated for the mineral and Mount Simon samples, including the Wenzel and Cassie–Baxter models, plus newly proposed modifications of these that account for the fraction of different minerals comprising the reservoir sample surface, the surface roughness, and the extent that roughness pits are filled with brine. Modeling results suggest that the fraction of mineral surfaces containing roughness pits filled with brine is the most important reservoir characteristic that controls wettability in the Mount Simon sandstone, followed by surface mineralogy. Finally, to our knowledge, this is one of the few studies to investigate the effects of individual minerals on the wettability of a natural reservoir sample.

58 GEOSCIENCES↗
DOE OSTI2024

Composition-Dependent Reconstructions of Titanium Oxide Clusters and Cu(111) Support via Cluster-Adatom Interactions

Mass-selected cluster deposition and scanning tunneling microscopy (STM) were used to investigate the surface structure and thermal stability of Ti 3 O y (y = 5, 6) clusters on a Cu(111) surface. STM imaging shows that the substoichiometric Ti 3 O 5 clusters aggregate into large dendritic assemblies at step edges, while the stoichiometric Ti 3 O 6 clusters are highly dispersed as single or small groupings of clusters. Cluster deposition also results in extensive reconstruction of the Cu(111) surface. The Ti 3 O 5 /Cu(111) surface exhibits one Cu-layer deep pits that are ringed by cluster assemblies that nucleate and grow at the perimeter step edges. By comparison, the Ti 3 O 6 /Cu(111) surface consists of irregular step edges and small one Cu-layer islands that are decorated with clusters. The restructuring of the Cu(111) surface is attributed to strong Cu-cluster interactions that release Cu adatoms from the step edges. This mechanism is supported by density functional theory (DFT) calculations, which predict that the Cu adatom attachment to the clusters is energetically favorable. Annealing the surfaces at elevated temperatures (400-700 K) results in higher densities of irregular steps, pits and isolated Cu islands as well as increased cluster aggregation. In conclusion, this work highlights adatom-cluster interactions as another manifestation of strong cluster-support interactions that can significantly alter the nature of the oxide-metal interface.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Allotropic control: How certain fluorinated carbonate electrolytes protect aluminum current collectors by promoting the formation of insoluble coordination polymers

Here, there is a strong incentive for increasing the operation voltage of Li-ion cells above 4.5 V in order to increase the density of stored energy. Aluminum is an inexpensive, lightweight metal that is commonly used as a positive electrode current collector in these cells. Imide LiX salts, such as lithium bis(trifluoromethylsulfonyl)imide (X = TFSI), and lithium bis(fluorosulfonyl)imide (X = FSI), are chemically stable on the energized lithiated transition metal oxide electrodes, but their presence in the electrolyte causes rapid anodic dissolution and pitting of Al current collectors at potentials exceeding 4.0 V versus Li/Li + . For LiBF 4 and LiPF 6 , the release of HF near the energized surfaces passivates the exposed Al metal, inhibiting this pitting corrosion, but it also causes the gradual degradation of the cathode active material, negating this important advantage. Here we report that in certain electrolytes containing fluorinated carbonate solvents and LiX salts, the threshold voltage for safe operation of Al current collectors can be increased to 5.5 V versus Li/Li + . Interestingly, the most efficient solvent also facilitates the formation of an insoluble gel when AlX 3 is introduced into this solvent. We suggest that this solvent promotes the aggregation of coordination polymers of AlX 3 at the exposed Al surface that isolate this surface from the electrolyte, thereby preventing further Al dissolution and corrosion. Other examples of Al collector protection may also involve this mechanism. Our study suggests that such “allotropic control” could be a way of widening the operation window of Li-ion cells without electrode deterioration, Al current collector corrosion, and electrolyte breakdown.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ab Initio Thermodynamics and Kinetics for Coalescence of Two-Dimensional Nanoislands and Nanopits on Metal (100) Surfaces

Postdeposition coalescence or sintering of pairs of lowstrain two-dimensional nanoislands and nanopits on unreconstructed metal (100) surfaces is typically mediated by diffusion along step edges, and is highly sensitive to the associated kinetics. Thus, for selected systems, we provide an ab initio density functional theory (DFT) level description of both system thermodynamics and kinetics. Specifically, we assess lateral pair and trio interactions both conventionally with adatoms at 4-fold hollow adsorption sites, and unconventionally with one adatom at the bridge-site transition state for hopping. Rather than use standard cluster expansion algorithms, these interactions are determined subject to the constraint that key step-edge properties are recovered exactly. Together, both classes of interactions determine barriers for edge diffusion processes for any local step configuration, including diffusion along close-packed $\langle$110$\rangle$ edges, kink rounding, meandering processes at kinked $\langle$100$\rangle$ steps, and extraction processes at pit corners. Our formalism applies for homoepitaxial systems, and also for several lattice-matched heteroepitaxial systems. The barriers provide input for stochastic models of nanocluster evolution, which are analyzed by kinetic Monte Carlo simulation. Such modeling with DFT energetics from the PBEsol functional recovers extensive experimental observations of both the time scale and the island-size dependence for sintering of Ag islands on Ag(100). In conclusion, description of pit sintering on Ag(100) is more delicate, being sensitive to specific unconventional trio interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Meteorology and Snow Data Set From Adjacent Forested and Meadow Sites at Crested Butte, CO, USA

We present meteorology and snow observation data collected at sites in the southwestern Colorado Rocky Mountains (USA) over three consecutive water years with different amounts of snow water equivalent (SWE) accumulation: A year with above average SWE (2019), a year with average SWE (2020), and a year with below average SWE (2021). This data set is distinguished by its emphasis on paired open-forest sites in a continental snow climate. Approximately once a month during February–May, we collected data from 15 to 20 snow pits and took 8 to 19 snow depth transects. Our sampling sites were in open and adjacent forested areas at 3,100 m and in a lower elevation aspen (3,035 m) and higher elevation conifer stand (3,395 m). In total, we recorded 270 individual snow pit density and temperature profiles and over 4,000 snow depth measurements. These data are complimented by continuous meteorological measurements from two weather stations: One in the open and one in the adjacent forest. Meteorology data—including incoming shortwave and longwave radiation, outgoing shortwave radiation, relative humidity, wind speed, snow depth, and air and infrared surface temperature—were quality controlled and the forcing data were gap-filled. These data are available to download from Bonner, Smyth, et al. at three levels of processing, including a level with downscaled, adjusted precipitation based on data assimilation using observed snow depth and a process-based snow model. We demonstrate the utility of these data with a modeling experiment that explores open-forest differences and identifies opportunities for improvements in model representation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Directly monitoring the shift in corrosion mechanisms of a model FeCrNi alloy driven by electric potential

Abstract Stainless steels are used in a myriad of engineering applications, including construction, automobiles, and nuclear reactors. Developing accurate, predictive mechanistic models for corrosion and electrochemical corrosion kinetics of stainless steels has been a topic of research studies over many decades. Herein, we quantified the aqueous corrosion kinetics of a model austenitic Fe–18Cr–14Ni (wt%) alloy in the presence and absence of applied potential using systematic in situ electrochemical atomic force microscopy (EC-AFM) and transmission electron microscopy (TEM). Without an applied bias, vertical dissolution of corrosion pits is controlled by the surface kinetics/diffusion hybrid mechanism, whereas lateral dissolution is diffusion controlled. When an electric bias is applied, the increase in corrosion rate is dominated by the nucleation of new pits. These insights gained by the in situ EC-AFM will allow applications of this method for a quantitative understanding of corrosion of a wider class of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Performance characterization of freeform finished surfaces of potassium dihydrogen phosphate using fluid jet polishing with a nonaqueous slurry

Abstract Potassium dihydrogen phosphate (KDP) and its deuterated analog (DKDP) are unique nonlinear optical materials for high power laser systems. They are used widely for frequency conversion and polarization control by virtue of the ability to grow optical-quality crystals at apertures suitable for fusion-class laser systems. Existing methods for freeform figuring of KDP/DKDP optics do not produce surfaces with sufficient laser-induced–damage thresholds (LIDT’s) for operation in the ultraviolet portion of high-peak-power laser systems. In this work, we investigate fluid jet polishing (FJP) using a nonaqueous slurry as a sub-aperture finishing method for producing freeform KDP surfaces. This method was used to selectively polish surface areas to different depths on the same substrate with removals ranging from 0.16 μm to 5.13 μm. The finished surfaces demonstrated a slight increase in roughness as the removal depth increased along with a small number of fracture pits. Laser damage testing with 351 nm, 1 ns pulses demonstrated excellent surface damage thresholds, with the highest values in areas devoid of fracture pits. This work demonstrates, for the first time, a method that enables fabrication of a waveplate that provides tailored polarization randomization that can be scaled to meter-sized optics. Furthermore, this method is based on FJP technology that incorporates a nonaqueous slurry specially designed for use with KDP. This novel nonaqueous FJP process can be also used for figuring other types of materials that exhibit similar challenging inherent properties such as softness, brittleness, water-solubility, and temperature sensitivity.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Studying localized corrosion using liquid cell transmission electron microscopy

Using liquid cell transmission electron microscopy (LCTEM), localized corrosion of Cu and Al thin films immersed in aqueous NaCl solutions was studied. We demonstrate that potentiostatic control can be used to initiate pitting and that local compositional changes, due to focused ion beam implantation of Au + ions, can modify the corrosion susceptibility of Al films. Likewise, a discussion on strategies to control the onset of pitting is also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Formation and evolution of ripples on ion-irradiated semiconductor surfaces

We have examined the formation and evolution of ripples on focused-ion-beam (FIB) irradiated compound semiconductor surfaces. Using initially normal-incidence Ga + FIB irradiation of InSb, we tuned the local beam incidence angle (θ eff ) by varying the pitch and/or dwell time. For single-pass FIB irradiation, increasing θ eff induces morphological evolution from pits and islands to ripples to featureless surfaces. Multiple-pass FIB irradiation of the rippled surfaces at a fixed θ eff leads to island formation on the ripple crests, followed by nanorod (NR) growth. Finally, this ripple-NR transition provides an alternative approach for achieving dense arrays of NRs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Precision control of thermal transport in cryogenic single-crystal silicon devices

We report on the diffusive-ballistic thermal conductance of multi-moded single-crystal silicon beams measured below 1 K. It is shown that the phonon mean-free-path ℓ is a strong function of the surface roughness characteristics of the beams. This effect is enhanced in diffuse beams with lengths much larger than ℓ, even when the surface is fairly smooth, 5–10 nm rms, and the peak thermal wavelength is 0.6 μm. Resonant phonon scattering has been observed in beams with a pitted surface morphology and characteristic pit depth of 30 nm. Hence, if the surface roughness is not adequately controlled, the thermal conductance can vary significantly for diffuse beams fabricated across a wafer. In contrast, when the beam length is of order ℓ, the conductance is dominated by ballistic transport and is effectively set by the beam cross-sectional area. We have demonstrated a uniformity of ±8% in fractional deviation for ballistic beams, and this deviation is largely set by the thermal conductance of diffuse beams that support the micro-electro-mechanical device and electrical leads. In addition, we have found no evidence for excess specific heat in single-crystal silicon membranes. This allows for the precise control of the device heat capacity with normal metal films. We discuss the results in the context of the design and fabrication of large-format arrays of far-infrared and millimeter wavelength cryogenic detectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electrical and structural degradation of GaN high electron mobility transistors under high-power and high-temperature Direct Current stress

We have stressed AlGaN/GaN HEMTs (High Electron Mobility Transistors) under high-power and high-temperature DC conditions that resulted in various levels of device degradation. Following electrical stress, we conducted a well-established three-step wet etching process to remove passivation, gate and ohmic contacts so that the device surface can be examined by SEM and AFM. We have found prominent pits and trenches that have formed under the gate edge on the drain side of the device. The width and depth of the pits under the gate edge correlate with the degree of drain current degradation. In addition, we also found visible erosion under the full extent of the gate. The depth of the eroded region averaged along the gate width under the gate correlated with channel resistance degradation. Both electrical and structural analysis results indicate that device degradation under high-power DC conditions is of a similar nature as in better understood high-voltage OFF-state conditions. The recognition of a unified degradation mechanism provides impetus to the development of a degradation model with lifetime predictive capabilities for a broad range of operating conditions spanning from OFF-state to ON-state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Surface and subsurface cracks characteristics of single crystal SiC wafer in surface machining

Different machining processes were used in the single crystal SiC wafer machining. SEM was used to observe the surface morphology and a cross-sectional cleavages microscopy method was used for subsurface cracks detection. Surface and subsurface cracks characteristics of single crystal SiC wafer in abrasive machining were analysed. The results show that the surface and subsurface cracks system of single crystal SiC wafer in abrasive machining including radial crack, lateral crack and the median crack. In lapping process, material removal is dominated by brittle removal. Lots of chipping pits were found on the lapping surface. With the particle size becomes smaller, the surface roughness and subsurface crack depth decreases. When the particle size was changed to 1.5µm, the surface roughness Ra was reduced to 24.0nm and the maximum subsurface crack was 1.2µm. The efficiency of grinding is higher than lapping. Plastic removal can be achieved by changing the process parameters. Material removal was mostly in brittle fracture when grinding with 325# diamond wheel. Plow scratches and chipping pits were found on the ground surface. The surface roughness Ra was 17.7nm and maximum subsurface crack depth was 5.8 µm. When grinding with 8000# diamond wheel, the material removal was in plastic flow. Plastic scratches were found on the surface. A smooth surface of roughness Ra 2.5nm without any subsurface cracks was obtained. Atomic scale removal was possible in cluster magnetorheological finishing with diamond abrasive size of 0.5 µm. A super smooth surface eventually obtained with a roughness of Ra 0.4nm without any subsurface crack.

36 MATERIALS SCIENCE↗
DOE OSTI2015

1D profiling using highly dispersive guided waves

Corrosion is one of the industries major issues regarding the integrity of assets. Currently inspections are conducted at regular intervals to ensure a sufficient integrity level of these assets. Cost reduction while maintaining a high level of reliability and safety of installations is a major challenge. There are many situations where the actual defect location is not accessible, e.g., a pipe support or a partially buried pipe. Guided wave tomography has been developed to reconstruct the wall thickness. In case of bottom of the line corrosion, i.e., a single corrosion pit, a simpler approach may be followed. Data is collected in a pit-catch configuration at the 12 o'clock position using highly dispersive guided waves. The phase spectrum is used to invert for a wall thickness profile in the circumferential direction, assuming a Gaussian defect profile. An EMAT sensor design has been made to measure at the 12 o'clock position of a pipe. The concept is evaluated on measured data, showing good sizing capabilities on a variety simple defect profiles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A new interpretation for performance improvement of high-efficiency vertical blue light-emitting diodes by InGaN/GaN superlattices

The effect of InGaN/GaN superlattices (SLs) on quantum efficiency and forward voltage of vertical blue InGaN/GaN multiple quantum well (MQW) light-emitting diodes (LED) grown on Si substrate has been experimentally and theoretically investigated. We have prepared two LED samples, in which the 30 and 45 periods of SLs are inserted between MQW active layers and n-GaN layer, respectively. Electroluminescence measurement shows that the LED with 45 periods of SLs has higher quantum efficiency but lower forward voltage. It is observed that V-shaped pits grow up in size with an increase in SLs period number by means of scan transmission electron microscope and secondary ion mass spectrometry. Further numerical simulations confirm that the performance improvement of LED by SLs is mainly ascribed to enhancing hole injection from the V-shaped pits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Classification of computed thermal tomography images with deep learning convolutional neural network

Thermal tomography (TT) is a computational method for the reconstruction of depth profile of the internal material defects from Pulsed Infrared Thermography (PIT) nondestructive evaluation. Here, the PIT method consists of recording material surface temperature transients with a fast frame infrared camera, following thermal pulse deposition on the material surface with a flashlamp and heat diffusion into material bulk. TT algorithm obtains depth reconstructions of thermal effusivity, which has been shown to provide visualization of the subsurface internal defects in metals. In many applications, one needs to determine the defect shape and orientation from reconstructed effusivity images. Interpretation of TT images is non-trivial because of blurring, which increases with depth due to the heat diffusion-based nature of image formation. We have developed a deep learning convolutional neural network (CNN) to classify the size and orientation of subsurface material defects in TT images. CNN was trained with TT images produced with computer simulations of 2D metallic structures (thin plates) containing elliptical subsurface voids. The performance of CNN was investigated using test TT images developed with computer simulations of plates containing elliptical defects, and defects with shapes imported from scanning electron microscopy images. CNN demonstrated the ability to classify radii and angular orientation of elliptical defects in previously unseen test TT images. We have also demonstrated that CNN trained on the TT images of elliptical defects is capable of classifying the shape and orientation of irregular defects.

42 ENGINEERING↗
DOE OSTI2014

Coded Wire Tag and Passive Integrated Transponder Tag Implantations in Juvenile Burbot

Abstract Regional stakeholders in various nations are investigating the restoration of imperiled and extirpated Burbot Lota lota populations via the stocking of hatchery-produced fish. Although stocking programs routinely tag fish for monitoring and evaluation projects, there is currently only limited information available regarding effective tagging techniques for use with juvenile Burbot. We identified two anatomical locations (dorsal muscle and peritoneum) that were suitable for PIT tag implantation and six body sites (snout, periocular region, nape, pectoral fin base, dorsal fin base, and ventral [anal fin base]) that were suitable for coded wire tag batch marking of age-0 Burbot (88–144 mm TL). Our evaluation of these implantation methods generally revealed a high rate of tag retention (>95%) and no significant tagging effects on fish survival or growth. A follow-up study also demonstrated satisfactory mass-marking rates for both tag types. Coded wire tags and PIT tags should provide harmless, affordable, long-term identification of hatchery Burbot juveniles. Received August 27, 2013; accepted December 27, 2013

Ashton, Neil K.↗
DOE OSTI2015

Estimating Cohort Survival through Tributaries for Salmonid Populations with Variable Ages at Migration

Abstract Survival of juvenile anadromous Pacific salmonids from their earliest age of seaward movement (“out-migration”) through the tributaries that connect their rearing grounds to larger-order rivers (“cohort survival”) is an important yet often unmonitored factor in the complex life history of these species. Populations with variable age at out-migration (e.g., steelhead Oncorhynchus mykiss) or multiple juvenile rearing strategies (e.g., Chinook Salmon O. tshawytscha) raise particular challenges in survival monitoring. A multiple-state release–recapture model is presented to estimate cohort survival for salmonid species with variable age at out-migration and demonstrated in two case studies. Annual releases of fish tagged with passive integrated transponder (PIT) tags from the same brood year (cohort) and their detections by instream PIT-tag detection arrays in tributaries and at hydroelectric dams are used to estimate survival through tributaries and the age composition of juvenile migrants reaching downstream sites. The 2010 cohort of Chinook Salmon from the Chiwawa River in Washington State had estimated survival of 0.59 to the middle Wenatchee River array in Tumwater Dam Reservoir (river distance of 30 km) and 0.12 to McNary Dam (364 km) on the Columbia River. The age composition shifted from 60.1% subyearlings at the Wenatchee River array to 100% yearlings at McNary Dam, reflecting the use of the Wenatchee River as a nonnatal rearing area, whereas McNary Dam is in the migratory corridor. The 2010 cohort of steelhead from the Twisp River in Washington State had estimated survival from the yearling stage of 0.30 to Rocky Reach Dam (146 km from the Twisp River mouth) on the Columbia River and 0.17 to McNary Dam (439 km). The low survival to the Columbia River resulted from both mortality and adoption of a resident life history and reflects the diverse population structure in the Twisp River. Received February 4, 2015; accepted June 11, 2015

Buchanan, Rebecca A.↗