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At least 505 records · Page 28

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DOE OSTI2016

Fabrication of Si(111) crystalline thin film on graphene by aluminum-induced crystallization

We report the fabrication of a Si(111) crystalline thin film on graphene by the aluminum-induced crystallization (AIC) process. The AIC process of Si(111) on graphene is shown to be enhanced compared to that on an amorphous SiO{sub 2} substrate, resulting in a more homogeneous Si(111) thin film structure as revealed by X-ray diffraction and atomic force microscopy measurements. Raman measurements confirm that the graphene is intact throughout the process, retaining its characteristic phonon spectrum without any appearance of the D peak. A red-shift of Raman peaks, which is more pronounced for the 2D peak, is observed in graphene after the crystallization process. It is found to correlate with the red-shift of the Si Raman peak, suggesting an epitaxial relationship between graphene and the adsorbed AIC Si(111) film with both the graphene and Si under tensile strain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

The Future of a Myriad of Accelerated Biodiscoveries Lies in AI‐Powered Mass Spectrometry and Multiomics Integration

The intersection of modern artificial intelligence (AI) and mass spectrometry (MS) is set to transform the MS‐based “omics” research fields, particularly proteomics, metabolomics, lipidomics, and glycomics, enabling advancements across a wide range of domains, from health to environment and industrial biotechnology. Beginning with an overview of key challenges inherent in MS software pipelines, this personal perspective explores how AI‐driven solutions can address them to enhance data processing, integration and interpretation. It proposes a paradigm shift in molecular identification and quantitation algorithms, leveraging AI to enable holistic interpretation of MS‐based multiomics data. While centered on MS‐based omics, this holistic AI‐driven paradigm is also critical for connecting dynamic biochemical changes to genomics and transcriptomics contexts, reinforcing the integrative value of MS in multiomics research. Ultimately, this AI‐driven approach could enhance efficiency, accuracy, and molecular breadth of coverage, deepening our systems‐level understanding of biological processes and accelerating a myriad of biodiscoveries.

47 OTHER INSTRUMENTATION↗

DOE OSTI2015

A Prescription for List-Mode Data Processing Conventions

There are a variety of algorithmic approaches available to process list-mode pulse streams to produce multiplicity histograms for subsequent analysis. In the development of the INCC v6.0 code to include the processing of this data format, we have noted inconsistencies in the “processed time” between the various approaches. The processed time, tp, is the time interval over which the recorded pulses are analyzed to construct multiplicity histograms. This is the time interval that is used to convert measured counts into count rates. The observed inconsistencies in tp impact the reported count rate information and the determination of the error-values associated with the derived singles, doubles, and triples counting rates. This issue is particularly important in low count-rate environments. In this report we will present a prescription for the processing of list-mode counting data that produces values that are both correct and consistent with traditional shift-register technologies. It is our objective to define conventions for list mode data processing to ensure that the results are physically valid and numerically aligned with the results from shift-register electronics.

List mode↗

NASA NTRS1976

Storage Stability and Improvement of Intermediate Moisture Foods

Shelf life tests are used to estimate the rate of nonenzymatic browning; however, controlling the reducing sugar levels below 23:1 molar ratio to amines, slows the rate. In addition, liquid glycols surpress browning. The protozoan Tetrahymena pyriformis W can be used to estimate nutrition losses during browning. At high temperatures (80 to 120 C) used in processing intermediate moisture foods (IMF), vitamin C destruction shifts to a zero order mechanism. BHA and BHT are the most effective antioxidants against rancidity. In shelf life testing however, 45 C should be the maximum temperature used. Water binding agents are studied. The five isotherms of thirteen humectants were determined. The results show that neither the method of addition nor sequence of addition affects the a sub u lowering ability of these humectants. Results were used to formulate shelf stable IMF processed cheese foods with at least four months shelf life.

Labuza, T. P.↗

NASA NTRS1978

Barium and neodymium isotopic anomalies in the Allende meteorite

The discovery of Ba and Nd isotopic anomalies in two inclusions from the Allende meteorite is reported. The inclusions are Ca-Al-rich objects typical of the type considered as high-temperature condensation products in the solar nebula and contain distinctive Mg and O isotopic anomalies of the FUN (mass Fractionation, Unknown Nuclear processes) type. Mass-spectrometry results are discussed which show that inclusion C1 has anomalies in Ba at masses 134 and 136, while inclusion EK1-4-1 exhibits large marked negative anomalies at 130, 132, 134, and 136, as well as a positive anomaly at 137. It is also found that inclusion EK1-4-1 shows marked negative anomalies in Nd at masses 142, 146, 148, and 150, in addition to a positive anomaly at 145. These isotopic shifts are attributed to addition of r-process nuclei rather than mass fractionation. It is suggested that an onion-shell supernova explosion followed by injection into the solar nebula is the most likely generic model that may explain the observations.

Mcculloch, M. T.↗

DOE OSTI2015

THE MATRYOSHKA RUN. II. TIME-DEPENDENT TURBULENCE STATISTICS, STOCHASTIC PARTICLE ACCELERATION, AND MICROPHYSICS IMPACT IN A MASSIVE GALAXY CLUSTER

We use the Matryoshka run to study the time-dependent statistics of structure-formation-driven turbulence in the intracluster medium of a 10{sup 15} M {sub ☉} galaxy cluster. We investigate the turbulent cascade in the inner megaparsec for both compressional and incompressible velocity components. The flow maintains approximate conditions of fully developed turbulence, with departures thereof settling in about an eddy-turnover time. Turbulent velocity dispersion remains above 700 km s{sup –1} even at low mass accretion rate, with the fraction of compressional energy between 10% and 40%. The normalization and the slope of the compressional turbulence are susceptible to large variations on short timescales, unlike the incompressible counterpart. A major merger occurs around redshift z ≅ 0 and is accompanied by a long period of enhanced turbulence, ascribed to temporal clustering of mass accretion related to spatial clustering of matter. We test models of stochastic acceleration by compressional modes for the origin of diffuse radio emission in galaxy clusters. The turbulence simulation model constrains an important unknown of this complex problem and brings forth its dependence on the elusive microphysics of the intracluster plasma. In particular, the specifics of the plasma collisionality and the dissipation physics of weak shocks affect the cascade of compressional modes with strong impact on the acceleration rates. In this context radio halos emerge as complex phenomena in which a hierarchy of processes acting on progressively smaller scales are at work. Stochastic acceleration by compressional modes implies statistical correlation of radio power and spectral index with merging cores distance, both testable in principle with radio surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Attosecond transient absorption of argon atoms in the vacuum ultraviolet region: line energy shifts versus coherent population transfer

Using attosecond transient absorption, the dipole response of an argon atom in the vacuum ultraviolet (VUV) region is studied when an external electromagnetic field is present. An isolated attosecond VUV pulse populates Rydberg states lying 15 eV above the argon ground state. A synchronized few-cycle near infrared (NIR) pulse modifies the oscillating dipoles of argon impulsively, leading to alterations in the VUV absorption spectra. As the NIR pulse is delayed with respect to the VUV pulse, multiple features in the absorption profile emerge simultaneously including line broadening, sideband structure, sub-cycle fast modulations, and 5-10 fs slow modulations. These features indicate the coexistence of two general processes of the light-matter interaction: the energy shift of individual atomic levels and coherent population transfer between atomic eigenstates, revealing coherent superpositions. Finally, an intuitive formula is derived to treat both effects in a unifying framework, allowing one to identify and quantify the two processes in a single absorption spectrogram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Individual Nest Site Preferences Do Not Explain Upslope Population Shifts of a Secondary Cavity-Nesting Species

Geographic ranges of plants and animals are shifting due to environmental change. While some species are shifting towards the poles and upslope in elevation, the processes leading to these patterns are not well known. We analyzed 22 years of western bluebird (Sialia mexicana) data from a large nest box network in northern New Mexico at elevations between 1860 m and 2750 m. This population has shifted to higher elevations over time, but whether this is due to changes in nesting behavior and preference for higher elevation within the population or driven by immigration is unclear. We banded adults and nestlings from nest boxes and examined nesting location and elevation for individual birds captured two or more times. Most recaptured birds nested at the same nest boxes in subsequent years, and the number of birds that moved upslope did not significantly differ from the number that moved downslope. Fledglings moved greater distances and elevations than adults, but these movements were not upslope specific. Female fledglings showed greater changes in elevation and distance compared to male fledglings, but again, movements were not consistently upslope. The upslope shift in this population may be due to birds immigrating into the population and not from changes in individual nesting behavior.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1992

PC-SEAPAK user's guide, version 4.0

PC-SEAPAK is designed to provide a complete and affordable capability for processing and analysis of NOAA Advanced Very High Resolution Radiometer (AVHRR) and Nimbus-7 Coastal Zone Color Scanner (CZCS) data. Since the release of version 3.0 over a year ago, significant revisions were made to the AVHRR and CZCS programs and to the statistical data analysis module, and a number of new programs were added. This new version has 114 procedures listed in its menus. The package continues to emphasize user-friendliness and interactive data analysis. Additionally, because the scientific goals of the ocean color research being conducted have shifted to larger space and time scales, batch processing capabilities were enhanced, allowing large quantities of data to be easily ingested and analyzed. The development of PC-SEAPAK was paralled by two other activities that were influential and assistive: the global CZCS processing effort at GSFC and the continued development of VAX-SEAPAK. SEAPAK incorporates the instrument calibration and support all levels of data available from the CZCS archive.

Mcclain, Charles R.↗

DOE OSTI2023

Long-Term Changes in Concentration and Yield of Riverine Dissolved Silicon From the Poles to the Tropics

Riverine exports of silicon (Si) influence global carbon cycling through the growth of marine diatoms, which account for ~25% of global primary production. Climate change will likely alter river Si exports in biome-specific ways due to interacting shifts in chemical weathering rates, hydrologic connectivity, and metabolic processes in aquatic and terrestrial systems. Nonetheless, factors driving long-term changes in Si exports remain unexplored at local, regional, and global scales. We evaluated how concentrations and yields of dissolved Si (DSi) changed over the last several decades of rapid climate warming using long-term data sets from 60 rivers and streams spanning the globe (e.g., Antarctic, tropical, temperate, boreal, alpine, Arctic systems). We show that widespread changes in river DSi concentration and yield have occurred, with the most substantial shifts occurring in alpine and polar regions. The magnitude and direction of trends varied within and among biomes, were most strongly associated with differences in land cover, and were often independent of changes in river discharge. These findings indicate that there are likely diverse mechanisms driving change in river Si biogeochemistry that span the land-water interface, which may include glacial melt, changes in terrestrial vegetation, and river productivity. Finally, trends were often stronger in months outside of the growing season, particularly in temperate and boreal systems, demonstrating a potentially important role of shifting seasonality for the flux of Si from rivers. Our results have implications for the timing and magnitude of silica processing in rivers and its delivery to global oceans.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2011

Quantum states for quantum processes: A toy model for ammonia inversion spectra

Chemical transformations are viewed here as quantum processes modulated by external fields, that is, as shifts in reactant to product amplitudes within a quantum state represented by a linear (coherent) superposition of electronuclear basis functions; their electronic quantum numbers identify the ''chemical species.'' This basis set can be mapped from attractors built from a unique electronic configurational space that is invariant with respect to the nuclear geometry. In turn, the quantum numbers that label these basis functions and the semiclassical potentials for the electronic attractors may be used to derive reaction coordinates to monitor progress as a function of the applied field. A generalization of Feynman's three-state model for the ammonia inversion process illustrates the scheme; to enforce symmetry for the entire inversion process model and ensure invariance with respect to nuclear configurations, the three attractors and their basis functions are computed with a grid of fixed floating Gaussian functions. The external-field modulation of the effective inversion barrier is discussed within this conceptual approach. This analysis brings the descriptions of chemical processes near modern technologies that employ molecules to encode information by means of confinement and external fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Universal Jaynes-Cummings Control of an Oscillator

The Jaynes-Cummings (JC) interaction-the coherent exchange of excitations between a two-level system and a harmonic oscillator-is one of the fundamental interactions of quantum optics, realized across platforms such as cavity quantum electrodynamics, trapped ions, mechanical resonators, and superconducting circuits. Although JC interactions and qubit rotations form a universal gate set for oscillator control, practical implementations have not been demonstrated. Here we develop and experimentally demonstrate universal JC-based oscillator control by compiling arbitrary unitary gates into sequences of JC interactions and qubit rotations. In our experiment, the oscillator is realized using a mode of a high quality factor microwave cavity and the ancilla qubit using a superconducting transmon circuit, with the JC interaction implemented by a sideband interaction enabled by the Josephson nonlinearity. The native gates are constructed to be closed below a chosen cutoff photon number, encoding a qudit with suppressed leakage errors, while ancilla relaxation errors are detectable. We further find that the dispersive shift serves as a compilation resource that reduces circuit depths. We demonstrate universal qudit control and implement a single-qutrit gate set with a mean post-selected process fidelity of 96%, as well as ququart and ququint shift gates. These results establish Jaynes-Cummings control as a practical route to universal oscillator control, enabling programmable bosonic processors across a variety of quantum platforms.

Huang, Jordan [Rutgers U., Piscataway]↗

DOE OSTI2025

Isotope-dependent Tafel analysis probes proton transfer kinetics during electrocatalytic water splitting

Proton transfer plays an important role in both hydrogen and oxygen evolution reactions during electrocatalytic water splitting to produce green hydrogen. However, directly adapting the conventional proton/deuterium kinetic isotope effect to study proton transfer in heterogeneous electrocatalytic processes is challenging. Here we propose using the shift in the Tafel slope between protic and deuteric electrolytes, or the Tafel slope isotope effect, as an effective probe of proton transfer characteristics. Comparison of the Tafel slope isotope effect for diverse hydrogen and oxygen evolution reaction electrocatalysts in different pH environments reveals that proton transfer is both pH and structure dependent. Using ruthenium oxide as an example, we show that local structure modification can change the rate-determining step from an electrochemical, concerted proton–electron transfer step to a chemical step and improve the oxygen evolution activity in acid. The isotope-dependent Tafel analysis will facilitate a better understanding of the proton transfer behaviours during electrocatalytic processes and provide guidance for designing efficient electrocatalysts.

Chemistry↗

DOE OSTI2024

Catalyzing deep decarbonization with federated battery diagnosis and prognosis for better data management in energy storage systems

Industrial data analytics methods play a central role in improving energy storage performance and efficiency, impacting the future of electrified transportation and renewable electricity generation. However, significant challenges hinder the large-scale deployment of batteries. Conventional methods rely on centralized collection and processing of fleet-level data, leading to database size issues and privacy concerns due to potential data breaches. To enable scalable deployment of battery management systems, this article proposes a federated battery diagnosis and prognosis model, which distributes the processing of battery standard current-voltage-time-usage data in a privacy-preserving manner. Instead of transferring the raw data, this approach communicates only the locally processed parameters, thus reducing communication load and preserving data confidentiality. The federated model offers a paradigm shift in battery health management through privacy-preserving distributed methods for battery data processing and lifetime prediction, ensuring the reliable and sustainable deployment of lithium-ion batteries in a rapidly evolving world.

asset health management↗

DOE OSTI2020

Analytical and Computational Advances, Opportunities, and Challenges in Marine Organic Biogeochemistry in an Era of “Omics”

Advances in sampling tools, analytical methods, and data handling capabilities have been fundamental to the growth of marine organic biogeochemistry over the past four decades. There has always been a strong feedback between analytical advances and scientific advances. However, whereas advances in analytical technology were often the driving force that made possible progress in elucidating the sources and fate of organic matter in the ocean in the first decades of marine organic biogeochemistry, today process-based scientific questions should drive analytical developments. Several paradigm shifts and challenges for the future are related to the intersection between analytical progress and scientific evolution. Untargeted “molecular headhunting” for its own sake is now being subsumed into process-driven targeted investigations that ask new questions and thus require new analytical capabilities. However, there are still major gaps in characterizing the chemical composition and biochemical behavior of macromolecules, as well as in generating reference standards for relevant types of organic matter. Field-based measurements are now routinely complemented by controlled laboratory experiments and in situ rate measurements of key biogeochemical processes. And finally, the multidisciplinary investigations that are becoming more common generate large and diverse datasets, requiring innovative computational tools to integrate often disparate data sets, including better global coverage and mapping. Here, we compile examples of developments in analytical methods that have enabled transformative scientific advances since 2004, and we project some challenges and opportunities in the near future. We believe that addressing these challenges and capitalizing on these opportunities will ensure continued progress in understanding the cycling of organic carbon in the ocean.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Detecting the permafrost carbon feedback: talik formation and increased cold-season respiration as precursors to sink-to-source transitions

Abstract. Thaw and release of permafrost carbon (C) due to climate change is likely to offset increased vegetation C uptake in northern high-latitude (NHL) terrestrial ecosystems. Models project that this permafrost C feedback may act as a slow leak, in which case detection and attribution of the feedback may be difficult. The formation of talik, a subsurface layer of perennially thawed soil, can accelerate permafrost degradation and soil respiration, ultimately shifting the C balance of permafrost-affected ecosystems from long-term C sinks to long-term C sources. It is imperative to understand and characterize mechanistic links between talik, permafrost thaw, and respiration of deep soil C to detect and quantify the permafrost C feedback. Here, we use the Community Land Model (CLM) version 4.5, a permafrost and biogeochemistry model, in comparison to long-term deep borehole data along North American and Siberian transects, to investigate thaw-driven C sources in NHL (> 55∘ N) from 2000 to 2300. Widespread talik at depth is projected across most of the NHL permafrost region (14 million km2) by 2300, 6.2 million km2 of which is projected to become a long-term C source, emitting 10 Pg C by 2100, 50 Pg C by 2200, and 120 Pg C by 2300, with few signs of slowing. Roughly half of the projected C source region is in predominantly warm sub-Arctic permafrost following talik onset. This region emits only 20 Pg C by 2300, but the CLM4.5 estimate may be biased low by not accounting for deep C in yedoma. Accelerated decomposition of deep soil C following talik onset shifts the ecosystem C balance away from surface dominant processes (photosynthesis and litter respiration), but sink-to-source transition dates are delayed by 20–200 years by high ecosystem productivity, such that talik peaks early (∼ 2050s, although borehole data suggest sooner) and C source transition peaks late (∼ 2150–2200). The remaining C source region in cold northern Arctic permafrost, which shifts to a net source early (late 21st century), emits 5 times more C (95 Pg C) by 2300, and prior to talik formation due to the high decomposition rates of shallow, young C in organic-rich soils coupled with low productivity. Our results provide important clues signaling imminent talik onset and C source transition, including (1) late cold-season (January–February) soil warming at depth (∼ 2 m), (2) increasing cold-season emissions (November–April), and (3) enhanced respiration of deep, old C in warm permafrost and young, shallow C in organic-rich cold permafrost soils. Our results suggest a mosaic of processes that govern carbon source-to-sink transitions at high latitudes and emphasize the urgency of monitoring soil thermal profiles, organic C age and content, cold-season CO2 emissions, and atmospheric 14CO2 as key indicators of the permafrost C feedback.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2004

Reduction of Phase Ambiguity in an Offset-QPSK Receiver

Proposed modifications of an offset-quadri-phase-shift keying (offset-QPSK) transmitter and receiver would reduce the amount of signal processing that must be done in the receiver to resolve the QPSK fourfold phase ambiguity. Resolution of the phase ambiguity is necessary in order to synchronize, with the received carrier signal, the signal generated by a local oscillator in a carrier-tracking loop in the receiver. Without resolution of the fourfold phase ambiguity, the loop could lock to any of four possible phase points, only one of which has the proper phase relationship with the carrier. The proposal applies, more specifically, to an offset-QPSK receiver that contains a carrier-tracking loop like that shown in Figure 1. This carrier-tracking loop does not resolve or reduce the phase ambiguity. A carrier-tracking loop of a different design optimized for the reception of offset QPSK could reduce the phase ambiguity from fourfold to twofold, but would be more complex. Alternatively, one could resolve the fourfold phase ambiguity by use of differential coding in the transmitter, at a cost of reduced power efficiency. The proposed modifications would make it possible to reduce the fourfold phase ambiguity to twofold, with no loss in power efficiency and only relatively simple additional signal-processing steps in the transmitter and receiver. The twofold phase ambiguity would then be resolved by use of a unique synchronization word, as is commonly done in binary phase-shift keying (BPSK). Although the mathematical and signal-processing principles underlying the modifications are too complex to explain in detail here, the modifications themselves would be relatively simple and are best described with the help of simple block diagrams (see Figure 2). In the transmitter, one would add a unit that would periodically invert bits going into the QPSK modulator; in the receiver, one would add a unit that would effect different but corresponding inversions of bits coming out of the QPSK demodulator. The net effect of all the inversions would be that depending on which lock point the carrier-tracking loop had selected, all the output bits would be either inverted or non-inverted together; hence, the ambiguity would be reduced from fourfold to twofold, as desired.

Berner, Jeff↗

DOE OSTI2020

Reduced Neutralization Feasibility Study for H-Canyon Accelerated Basin De- Inventory (ABD) Program

An alternative approach to Spent Nuclear Fuel (SNF) and Nuclear Material Processing was developed for future H-Canyon (HCAN) and L-Area operations that involves a paradigm shift from current HCAN, Concentrate, Storage, and Transfer Facility (CSTF), and Defense Waste Processing Facility (DWPF) operations. The alternative, referred to as Accelerated Basin De-inventory (ABD), requires that all Domestic and Foreign Research Reactor SNF currently at the Savannah River Site (SRS) will be dissolved, stored, and then transferred to CSTF without recovery of Highly Enriched Uranium (HEU). Concentrated nitric acid is utilized to dissolve aluminum spent nuclear fuel (ASNF) in HCAN. The vessels and piping in HCAN are fabricated from 304L stainless steel and are ideally suited to handle the acidic waste stream. However, as the waste is transferred to the CSTF and DWPF, it will contact the carbon steel waste tanks in CSTF. In order to prevent corrosion of the carbon steel, the acidic waste is neutralized (i.e., pH adjusted over 11) by the addition of sodium hydroxide (NaOH). The NaOH is added until the final solution contains 1.2 M excess -OH. Additionally, if the waste is not neutralized to a pH greater than 11, then aluminum hydroxide (Al(OH) 3 ) would form, and solids may form in the piping as it is transferred to CSTF. This document presents an analysis of the influence of reducing the excess caustic that is added to the neutralization tanks on the corrosion protection scheme primarily for the CSTF waste tanks. The implications to HCAN and DWPF were also assessed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗