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DOE OSTI2011

ATOMIC FORCE LITHOGRAPHY OF NANO/MICROFLUIDIC CHANNELS FOR VERIFICATION AND MONITORING OF AQUEOUS SOLUTIONS

The growing interest in the physics of fluidic flow in nanoscale channels, as well as the possibility for high sensitive detection of ions and single molecules is driving the development of nanofluidic channels. The enrichment of charged analytes due to electric field-controlled flow and surface charge/dipole interactions along the channel can lead to enhancement of sensitivity and limits-of-detection in sensor instruments. Nuclear material processing, waste remediation, and nuclear non-proliferation applications can greatly benefit from this capability. Atomic force microscopy (AFM) provides a low-cost alternative for the machining of disposable nanochannels. The small AFM tip diameter (< 10 nm) can provide for features at scales restricted in conventional optical and electron-beam lithography. This work presents preliminary results on the fabrication of nano/microfluidic channels on polymer films deposited on quartz substrates by AFM lithography.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Cellulose nanofibrils and nanocrystals in confined flow: Single-particle dynamics to collective alignment revealed through scanning small-angle x-ray scattering and numerical simulations

Nanostructured materials made through flow-assisted assembly of proteinaceous or polymeric nanosized fibrillar building blocks are promising contenders for a family of high-performance biocompatible materials in a wide variety of applications. Optimization of these processes relies on improving our knowledge of the physical mechanisms from nano- to macroscale and especially understanding the alignment of elongated nanoparticles in flows. Here, we study the full projected orientation distributions of cellulose nanocrystals (CNCs) and nanofibrils (CNFs) in confined flow using scanning microbeam SAXS. For CNCs, we further compare with a simulated system of dilute Brownian ellipsoids, which agrees well at dilute concentrations. However, increasing CNC concentration to a semidilute regime results in locally arranged domains called tactoids, which aid in aligning the CNC at low shear rates, but limit alignment at higher rates. Similarly, shear alignment of CNF at semidilute conditions is also limited owing to probable bundle or flock formation of the highly entangled nanofibrils. Finally, this work provides a quantitative comparison of full projected orientation distributions of elongated nanoparticles in confined flow and provides an important stepping stone towards predicting and controlling processes to create nanostructured materials on an industrial scale.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Small Scale Melter Testing of HLW Algorithm Glasses: Matrix 1 Tests

The principal objectives of the DM100 tests were to determine the effects of glass property extremes (glass viscosity, electrical conductivity, and T1%), minimum and maximum concentrations of several major and minor glass components, +/-15% batching errors in the addition of Glass Forming Chemicals (GFCs) to the feed, and variation in the sources of boron and sodium used in the GFCs on processing rates and melter conditions (off-gas characteristics, glass processing, foaming, cold cap, etc.) at constant bubbling rate.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1976

A methodology for small scale rural land use mapping in semi-arid developing countries using orbital imagery. Part 3: Review of land use surveys using orbital imagery in the USA

The author has identified the following significant results. Techniques of preprocessing, interpretation, classification, and ground truth sampling were studied. It has shown the need for a low cost, low level technology, viable, operational methodology to replace the emphasis given in the U.S. to machine processing, which many developing countries cannot afford, understand, nor implement.

Vangenderen, J. L.↗

DOE OSTI2023

Green-Solvent Processed Blade-Coating Organic Solar Cells with an Efficiency Approaching 19% Enabled by Alkyl-Tailored Acceptors

Power-conversion-efficiencies (PCEs) of organic solar cells (OSCs) in laboratory, normally processed by spin-coating technology with toxic halogenated solvents, have reached over 19%. However, there is usually a marked PCE drop when the blade-coating and/or green-solvents toward large-scale printing are used instead, which hampers the practical development of OSCs. Here, a new series of N-alkyl-tailored small molecule acceptors named YR-SeNF with a same molecular main backbone are developed by combining selenium-fused central-core and naphthalene-fused end-group. Thanks to the N-alkyl engineering, NIR-absorbing YR-SeNF series show different crystallinity, packing patterns, and miscibility with polymeric donor. The studies exhibit that the molecular packing, crystallinity, and vertical distribution of active layer morphologies are well optimized by introducing newly designed guest acceptor associated with tailored N-alkyl chains, providing the improved charge transfer dynamics and stability for the PM6:L8-BO:YR-SeNF-based OSCs. As a result, a record-high PCE approaching 19% is achieved in the blade-coating OSCs fabricated from a green-solvent o-xylene with high-boiling point. Notably, ternary OSCs offer robust operating stability under maximum-power-point tracking and well-keep > 80% of the initial PCEs for even over 400 h. Our alkyl-tailored guest acceptor strategy provides a unique approach to develop green-solvent and blade-coating processed high-efficiency and operating stable OSCs, which paves a way for industrial development.

14 SOLAR ENERGY↗

DOE OSTI2015

Diffusive shock acceleration and reconnection acceleration processes

Shock waves, as shown by simulations and observations, can generate high levels of downstream vortical turbulence, including magnetic islands. We consider a combination of diffusive shock acceleration (DSA) and downstream magnetic-island-reconnection-related processes as an energization mechanism for charged particles. Observations of electron and ion distributions downstream of interplanetary shocks and the heliospheric termination shock (HTS) are frequently inconsistent with the predictions of classical DSA. We utilize a recently developed transport theory for charged particles propagating diffusively in a turbulent region filled with contracting and reconnecting plasmoids and small-scale current sheets. Particle energization associated with the anti-reconnection electric field, a consequence of magnetic island merging, and magnetic island contraction, are considered. For the former only, we find that (i) the spectrum is a hard power law in particle speed, and (ii) the downstream solution is constant. For downstream plasmoid contraction only, (i) the accelerated spectrum is a hard power law in particle speed; (ii) the particle intensity for a given energy peaks downstream of the shock, and the distance to the peak location increases with increasing particle energy, and (iii) the particle intensity amplification for a particular particle energy, f(x,c/c{sub 0})/f(0,c/c{sub 0}), is not 1, as predicted by DSA, but increases with increasing particle energy. The general solution combines both the reconnection-induced electric field and plasmoid contraction. The observed energetic particle intensity profile observed by Voyager 2 downstream of the HTS appears to support a particle acceleration mechanism that combines both DSA and magnetic-island-reconnection-related processes.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2012

A Volcanic Origin for Sinuous and Branching Channels on Mars: Evidence from Hawaiian Analogs

Observations of sinuous and branching channels on planets have long driven a debate about their origin, fluvial or volcanic processes. In some cases planetary conditions rule out fluvial activity (e.g. the Moon, Venus, Mercury). However, the geology of Mars leads to suggestions that liquid water existed on the surface in the past. As a result, some sinuous and branching channels on Mars are cited as evidence of fluvial erosion. Evidence for a fluvial history often focuses on channel morphologies that are unique from a typical lava channel, for instance, a lack of detectable flow margins and levees, islands and terraces. Although these features are typical, they are not necessarily diagnostic of a fluvial system. We conducted field studies in Hawaii to characterize similar features in lava flows to better define which characteristics might be diagnostic of fluvial or volcanic processes. Our martian example is a channel system that originates in the Ascraeus Mons SW rift zone from a fissure. The channel extends for approx.300 km to the SE/E. The proximal channel displays multiple branches, islands, terraces, and has no detectable levees or margins. We conducted field work on the 1859 and 1907 Mauna Loa flows, and the Pohue Bay flow. The 51-km-long 1859 Flow originates from a fissure and is an example of a paired a a and pahoehoe lava flow. We collected DGPS data across a 500 m long island. Here, the channel diverted around a pre-existing obstruction in the channel, building vertical walls up to 9 m in height above the current channel floor. The complicated emplacement history along this channel section, including an initial a a stage partially covered by pahoehoe overflows, resulted in an appearance of terraced channel walls, no levees and diffuse flow margins. The 1907 Mauna Loa flow extends > 20 km from the SW rift zone. The distal flow formed an a a channel. However the proximal flow field comprises a sheet that experienced drainage and sagging of the crust following the eruption. The lateral margins of the proximal sheet, past which all lava flowed to feed the extensive channel, currently display a thickness of < 20 cm. Were this area covered by a dust layer, as is the Tharsis region on Mars, the margins would be difficult to identify. The Pohue Bay flow forms a lava tube. Open roof sections experienced episodes of overflow and spill out. In several places the resultant surface flows appear to have moved as sheet flows that inundated the preexisting meter scale features. Here the flows developed pathways around topographic highs, and in so doing accreted lava onto those features. The results are small islands within the multiple branched channels that display steep, sometimes overhanging walls. None of these features alone proves that the martian channel networks are the result of volcanic processes, but analog studies such as these are the first step towards identifying which morphologies are truly diagnostic of fluvial and volcanic channels.

Bleacher, Jacob E.↗

DOE OSTI2016

Port Hope Area Initiative - Community Based Concepts Become Reality - 16538

The Port Hope Area Initiative (PHAI) involves the cleanup of historic low-level radioactive waste (LLRW) resulting from radium and uranium processing by the former Crown Corporation, Eldorado Nuclear Limited, and its predecessor companies, during the period between 1932 and 1988. The PHAI, which is based on a legal agreement between the Government of Canada and the adjacent municipalities of Port Hope and Clarington in Ontario, Canada, comprises two separate community-initiated projects for the long-term management of the historic LLRW located in each of these municipalities. The Port Hope Project involves the cleanup of approximately 1.2 million cubic metres of historic LLRW from various sites within the urban area of Port Hope, the construction and operation of an engineered aboveground mound where the waste will be safely contained, and the long-term maintenance and monitoring of the new waste management facility. The waste is currently located in 13 large-scale sites and an estimated 375 small-scale sites within the community. In contrast, the Port Granby Project involves the relocation of approximately 450,000 cubic metres of historic LLRW from the existing waste site on the north shore of Lake Ontario in rural Clarington, to a new engineered aboveground mound to be built 700 metres north of the shoreline. The work also involves the restoration of the existing site and long-term maintenance and monitoring the new facility. The PHAI entered Phase 2 (construction) of a three-phase program in early 2012, when $1.28 billion (Canadian) in federal funding was announced by the Minister of Natural Resources Canada. The funding, together with regulatory approval from the Canadian Nuclear Safety Commission (CNSC), which granted 10-year waste management licences to both projects, have permitted the PHAI to move forward with construction and remediation. Waste water treatment plants based on best-available technologies have been constructed for each project to remove a wide range of contaminants from groundwater, surface water and leachate collected during construction and operation of the aboveground mounds. Each treatment process has been designed to ensure the quality of treated water being discharged into Lake Ontario meets or exceeds stringent regulatory requirements, resulting in the enhanced protection of the Great Lakes Basin ecosystem. In 2015, the contract to build the Port Granby long-term waste management facility and remediate the existing waste site was awarded, and the long-awaited facility development will soon begin. The use of a dedicated internal waste transportation route along, which the LLRW will be trucked from the existing site to the new facility, is a key component of the design to minimize the impact on the local, rural community. In Port Hope, the removal of contaminated soil within the site for the new long-term management facility commenced in the fall of 2015. Over the next several years, multiple contracts will be awarded for construction and operation of the new waste management facility and remediation of the large and small-scale sites. In short, the Port Hope and Port Granby community-based concepts have matured into tangible projects with appropriate regulatory approvals and federal funding in place. Ongoing communications with the two communities have resulted in a well-informed public that understands the work to be done and is eager to see their projects take shape and become reality. As Canada's largest environmental remediation and restoration undertaking, the PHAI has never been closer to fulfilling its vision - working with the local communities to fulfil Canada's commitment for the cleanup of historic waste in Port Hope and Port Granby to leave an honourable legacy for future generations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

The Initial State of a Primordial Anisotropic Stage of Inflation

We investigate the possibility that the inflationary period in the early universe was preceded by a primordial stage of strong anisotropy. In particular we focus on the simplest model of this kind, where the spacetime is described by a non-singular Kasner solution that quickly evolves into an isotropic de Sitter space, the so-called Kasner-de Sitter solution. The initial Big Bang singularity is replaced, in this case, by a horizon. We show that the extension of this metric to the region behind the horizon contains a timelike singularity which will be visible by cosmological observers. This makes it impossible to have a reliable prediction of the quantum state of the cosmological perturbations in the region of interest. In this paper we consider the possibility that this Kasner-de Sitter universe is obtained as a result of a quantum tunneling process effectively substituting the region behind the horizon by an anisotropic parent vacuum state, namely a 1+1 dimensional spacetime compactified over an internal flat torus, T{sub 2}, which we take it to be of the form de Sitter{sub 2}×T{sub 2} or Minkowski{sub 2}×T{sub 2}. As a first approximation to understand the effects of this anisotropic initial state, we compute the power spectrum of a massless scalar field in these backgrounds. In both cases, the spectrum converges at small scales to the isotropic scale invariant form and only present important deviations from it at the largest possible scales. We find that the decompactification scenario from M{sub 2}×T{sub 2} leads to a suppressed and slightly anisotropic power spectrum at large scales which could be related to some of the anomalies present in the current CMB data. On the other hand, the spectrum of the universe with a dS{sub 2}×T{sub 2} parent vacuum presents an enhancement in power at large scales not consistent with observations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Picoflow Liquid Chromatography–Mass Spectrometry for Ultrasensitive Bottom-Up Proteomics Using 2-μm-i.d. Open Tubular Columns

In many areas of applications key objectives of chemical separations and analysis are to minimize the sample quantity while maximizing the chemical information obtained. Increasing measurement sensitivity is especially critical for proteomics research, especially when processing trace samples and where multiple measurements are desired. A rich collection of technologies has been developed, but the resulting sensitivity remains insufficient for achieving in-depth coverage of proteomic samples as small as single cells. In this paper, we combine picoliter-scale liquid chromatography (picoLC) with mass spectrometry (MS) to address this issue. The picoLC employs 2-µm-i.d. open tubular column to reduce the sample input needed to greatly increase the sensitivity achieved using electrospray ionization (ESI) with MS. With this picoLC-MS system, we show that we can identify ~1000 proteins reliably using only 30 pg of tryptic peptides, representing a 10–100-fold sensitivity improvement compared with the state-of-the-art liquid chromatography (LC) or capillary electrophoresis (CE)-MS methods. PicoLC-MS extends the limit of separation science and is expected to be a powerful tool for single cell proteomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Strong Electronic and Magnetic Coupling in M 4 (M = Ni, Cu) Clusters via Direct Orbital Interactions between Low-Coordinate Metal Centers

In this report we present an extensive study of tetranuclear transition-metal cluster compounds M 4 (NP t Bu 3 ) 4 and [M 4 (NP t Bu 3 ) 4 ][B(C 6 F 5 ) 4 ] (M = Ni, Cu; t Bu = tert -butyl), which feature low-coordinate metal centers and direct metal-metal orbital overlap. X-ray diffraction, electrochemical, magnetic, spectroscopic, and computational analysis elucidate the nature of the bonding interactions in these clusters and the impact of these interactions on the electronic and magnetic properties. Direct orbital overlap results in strongly coupled, large-spin ground states in the [Ni 4 (NP t Bu 3 ) 4 ] +/0 clusters and fully delocalized, spin-correlated electrons. Correlated electronic structure calculations confirm the presence of ferromagnetic ground states that arise from direct exchange between magnetic orbitals, and, in the case of the neutral cluster, itinerant electron magnetism similar to that in metallic ferromagnets. The cationic nickel cluster also possesses large magnetic anisotropy exemplified by a large, positive axial zero-field splitting parameter of D = +7.95 or +9.2 cm -1 , as determined by magnetometry or electron paramagnetic resonance spectroscopy, respectively. The [Ni 4 (NP t Bu 3 ) 4 ] + cluster is also the first molecule with easy-plane magnetic anisotropy to exhibit zero-field slow magnetic relaxation, and under a small applied field, it exhibits relaxation exclusively through an Orbach mechanism with a spin relaxation barrier of 16 cm -1 . The S = 1 / 2 complex [Cu 4 (NP t Bu 3 ) 4 ] + exhibits slow magnetic relaxation via a Raman process on the millisecond time scale, supporting the presence of slow relaxation via an Orbach process in the nickel analogue. Overall, this work highlights the unique electronic and magnetic properties that can be realized in metal clusters featuring direct metal-metal orbital interactions between low-coordinate metal centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Vortex circulation patterns in planar microdisk arrays

We report a magnetic X-ray microscopy study of the pattern formation of circulation in arrays of magnetic vortices ordered in a hexagonal and a honeycomb lattice. In the honeycomb lattice, we observe at remanence an ordered phase of alternating circulations, whereas in the hexagonal lattice, small regions of alternating lines form. A variation in the edge-to-edge distance shows that the size of those regions scales with the magnetostatic interaction. Micromagnetic simulations reveal that the patterns result from the formation of flux closure states during the nucleation process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Two-stage crash process in resistive drift ballooning mode driven ELM crash

We report a two-stage crash process in edge localized mode (ELM) driven by resistive drift-ballooning modes (RDBMs) numerically simulated in a full annular torus domain with a scale-separated four-field reduced MHD (RMHD) model using the BOUT++ framework. In the early nonlinear phase, the small first crash is triggered by linearly unstable RDBMs, and m/n=2/1 magnetic islands are nonlinearly excited by nonlinear coupling of RDBMs as well as their higher harmonics. Here, m is the poloidal mode number, n is the toroidal mode number, the q = 2 rational surface exists near the pressure gradient peak, and q is the safety factor. Simultaneously, middle-n RDBM turbulence develops but is poloidally localized around X-points of the magnetic islands, leading to the small energy loss. The second large crash occurs in the late nonlinear phase. Higher harmonics of m/n=2/1 magnetic islands well develop around the q = 2 surface via nonlinear coupling and make the magnetic field stochastic by magnetic island overlapping. Turbulence heat transport develops at X-points of higher harmonics of m/n=2/1 magnetic islands, resulting in the turbulence spreading in the poloidal direction. The large second crash is triggered when the turbulence covers the whole poloidal region so that the magnetic island generation and magnetic field stochastization before the large crash can be interpreted as ELM precursors. It is concluded that the ELM trigger is attributed to the turbulent spreading in the poloidal direction in synchronization with the magnetic field stochastization and the crash is driven by E × B convection rather than the conventional Rechester–Rosenbluth anomalous electron heat transport.

Seto, H. (ORCID:0000000259278643)↗

DOE OSTI2013

Effect of Aging on the Safety and Sensitivity of Nitroglycerine/Nitrocellulose Mixtures

Mixtures of nitroglycerine (NG) and nitrocellulose (NC) were prepared and aged for several days. Small-scale safety and thermal (SSST) tests were conducted to determine the effect of aging on impact, friction, spark and thermal sensitivities of the mixtures. Nuclear magnetic resonance (NMR) was also used to determine any possible chemical reaction and products occurred during the aging process. The test results are summarized in this report. The main effect due to aging is on impact sensitivity, found by this study. Depending upon how the drop hammer test was performed, the sensitivity of the NG/NC material either decreased or increased with aging. BAM friction also possibly showed a slight decrease in sensitivity upon aging. ESD, DSC, and NMR exhibited no changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

SynthEsizing Novel H2 Sensors for Operational Resilience in Pipeline Infrastructure (SENSOR) (CRADA Final Report)

Hydrogen (H₂) is gaining attention as a versatile energy carrier with potential applications across industrial processes, power generation, and transportation. However, its practical deployment, particularly in large-scale distribution systems, faces significant infrastructure challenges. Transporting hydrogen through dedicated pipelines or blending it into existing natural gas networks can lead to serious issues, such as leakage due to the small size of hydrogen molecules and material degradation in pipelines through embrittlement. These technical risks raise safety concerns and could limit the integration of hydrogen into current energy infrastructures. Additionally, using hydrogen-enriched gas mixtures in combustion systems like turbines and engines introduces new performance and compatibility challenges that must be resolved before widespread use becomes feasible.

08 HYDROGEN↗

NASA NTRS1993

GEWEX Continental-scale International Project (GCIP)

The Global Energy and Water Cycle Experiment (GEWEX) represents the World Climate Research Program activities on clouds, radiation, and land-surface processes. The goal of the program is to reproduce and predict, by means of suitable models, the variations of the global hydrological regime and its impact on atmospheric and oceanic dynamics. However, GEWEX is also concerned with variations in regional hydrological processes and water resources and their response to changes in the environment such as increasing greenhouse gases. In fact, GEWEX contains a major new international project called the GEWEX Continental-scale International Project (GCIP), which is designed to bridge the gap between the small scales represented by hydrological models and those scales that are practical for predicting the regional impacts of climate change. The development and use of coupled mesoscale-hydrological models for this purpose is a high priority in GCIP. The objectives of GCIP are presented.

Try, Paul↗

NASA NTRS1960

Oxidation Behavior of Binary Niobium Alloys

This investigation concludes a study to determine the effects of up to 25 atomic percent of 55 alloying additions on the oxidation characteristics of niobium. The alloys were evaluated by oxidizing in an air atmosphere for 4 hours at 1000 C and 2 hours at 1200 C. Titanium and chromium improved oxidation resistance at both evaluation conditions. Vanadium and aluminum improved oxidation resistance at 1000 C, even though the V scale tended to liquefy and the Al specimens became brittle and the scale powdery. Copper, cobalt, iron, and iridium improved oxidation resistance at 1200 C. Other investigations report tungsten and molybdenum are protective up to about 1000 C, and tantalum at 1100 C. The most important factor influencing the rate of oxidation was the ion size of the alloy additions. Ions slightly smaller than the Nb(5+) ion are soluble in the oxide lattice and tend to lower the compressive stresses in the bulk scale that lead to cracking. The solubility of the alloying addition also depends on the valence to some extent. All of the elements mentioned that improve the oxidation resistance of Nb fit this size criterion with the possible exception of Al, whose extremely small size in large concentrations would probably lead to the formation of a powdery scale. Maintenance of a crack-free bulk scale for as long as possible may contribute to the formation of a dark subscale that ultimately is rate- controlling in the oxidation process. The platinum-group metals, especially Ir, appear to protect by entrapment of the finely dispersed alloying element by the incoming Nb2O5 metal-oxide interface. This inert metallic Ir when alloyed in a sufficient amount with Yb appears to give a ductile phase dispersed in the brittle oxide. This scale would then flow more easily to relieve the large compressive stresses to delay cracking. Complex oxide formation (which both Ti and Zr tend to initiate) and valence effects, which probably change the vacancy concentration in the scale, are masked by the overriding tendency for a porous scale.

Barrett, Charles A.↗

NASA NTRS2001

Optimization of Training Sets for Neural-Net Processing of Characteristic Patterns from Vibrating Solids

Artificial neural networks have been used for a number of years to process holography-generated characteristic patterns of vibrating structures. This technology depends critically on the selection and the conditioning of the training sets. A scaling operation called folding is discussed for conditioning training sets optimally for training feed-forward neural networks to process characteristic fringe patterns. Folding allows feed-forward nets to be trained easily to detect damage-induced vibration-displacement-distribution changes as small as 10 nm. A specific application to aerospace of neural-net processing of characteristic patterns is presented to motivate the conditioning and optimization effort.

Decker, Arthur J.↗