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At least 1,171 records · Page 65

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DOE OSTI2021

Numerical Modeling of CO2 Sequestration within a Five-Spot Well Pattern in the Morrow B Sandstone of the Farnsworth Hydrocarbon Field: Comparison of the TOUGHREACT, STOMP-EOR, and GEM Simulators

The objectives of this study were (1) to assess the fate and impact of CO2 injected into the Morrow B Sandstone in the Farnsworth Unit (FWU) through numerical non-isothermal reactive transport modeling, and (2) to compare the performance of three major reactive solute transport simulators, TOUGHREACT, STOMP-EOR, and GEM, under the same input conditions. The models were based on a quarter of a five-spot well pattern where CO2 was injected on a water-alternating-gas schedule for the first 25 years of the 1000 year simulation. The reservoir pore fluid consisted of water with or without petroleum. The results of the models have numerous broad similarities, such as the pattern of reservoir cooling caused by the injected fluids, a large initial pH drop followed by gradual pH neutralization, the long-term persistence of an immiscible CO2 gas phase, the continuous dissolution of calcite, very small decreases in porosity, and the increasing importance over time of carbonate mineral CO2 sequestration. The models differed in their predicted fluid pressure evolutions; amounts of mineral precipitation and dissolution; and distribution of CO2 among immiscible gas, petroleum, formation water, and carbonate minerals. The results of the study show the usefulness of numerical simulations in identifying broad patterns of behavior associated with CO2 injection, but also point to significant uncertainties in the numerical values of many model output parameters.

STOMP↗

DOE OSTI2023

Engineering Super–Poissonian Photon Statistics of Spatial Light Modes

The nature of light sources is defined by the statistical fluctuations of the electromagnetic field. As such, the photon statistics of light sources are typically associated with distinct emitters. Here, the possibility of producing light beams with various photon statistics through the spatial modulation of coherent light is demonstrated. This is achieved by the sequential encoding of controllable Kolmogorov phase screens in a digital micromirror device. Interestingly, the flexibility of this scheme allows for the shaping of spatial light modes with engineered photon statistics at different spatial positions. The performance of this scheme is assessed through the photon-number-resolving characterization of different families of spatial light modes with engineered photon statistics. Furthermore, it is believed that the possibility of controlling the photon fluctuations of the light field at arbitrary spatial locations has important implications for quantum spectroscopy, sensing, and imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Entanglement and topology in RG flows across dimensions: caps, bridges and corners

We quantitatively address the following question: for a QFT which is partially compactified, so as to realize an RG flow from a D-dimensional CFT in the UV to a d-dimensional CFT in the IR, how does the entanglement entropy of a small spherical region probing the UV physics evolve as the size of the region grows to increasingly probe IR physics? This entails a generalization of spherical regions to setups without full Lorentz symmetry, and we study the associated entanglement entropies holographically. We find a tight interplay between the topology and geometry of the compact space and the evolution of the entanglement entropy, with universal transitions from ‘cap’ through ‘bridge’ and ‘corner’ phases, whose features reflect the details of the compact space. As concrete examples we discuss twisted compactifications of 4d $\mathcal{N}$ = 4 SYM on T 2 , S 2 and hyperbolic Riemann surfaces.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Non-contact electrochemical evaluation of biofilms

Abstract Here, we demonstrate a non-contact technique for electrochemical evaluation of biofilms on surfaces in relation to corrosion. Electrochemical impedance spectrometry was employed, incorporating flat patterned electrodes positioned over the surfaces of aluminum and glass with and without biofilms. Signal communication from the working electrode to the counter electrode followed electric field lines passing tangentially through the biofilms. Electrochemical impedance parameters that were evaluated included complex impedance, phase angle, imaginary (out of phase) conductivity and Cole–Cole plots with a corresponding equivalent circuit. Changes in the impedance properties due to the presence of biofilms were monitored and correlated through microbiological, chemical and electrochemical assays. Impedance parameters associated with microbial activity correlated with biofilms on aluminum and glass surfaces. This technical approach provides impedance information about the biofilm without the signal traveling through the underlying conductive media or disrupting the biofilm. In this way, biological contributions to surface fouling can be evaluated with minimal contribution from the inorganic surface under the biofilm. In addition, this technique can be used to monitor biofilms on electrochemically inert surfaces as well as electrically conductive surfaces. Graphic abstract

Turick, Charles E. (ORCID:0000000307815846)↗

DOE OSTI2022

High and temperature-insensitive piezoelectric performance in the lead-free Sm-doped BiFeO 3 –BaTiO 3 ceramics with high Curie temperature

Large sensor piezoelectric constant (d 33 = 334 pC/N) and superior actuator piezoelectric constant (d 33 * = 552 pm/V) as well as a high Curie temperature (T C = 454 °C) were obtained simultaneously in the lead-free 0.67Bi 1.03 FeO 3 -0.33Ba 1-x Sm x TiO 3 ceramics. Such an excellent and temperature-insensitive piezoelectric performance with only 10% temperature variation of piezoelectric strain at the range of 25–125 °C is highly desirable for real applications. The structural origin of the enhanced piezoelectric performance is mainly attributed to the morphotropic phase boundary and the highest known tetragonality (c T /a T = 1.02) in such materials. Transmission electron microscopy and electro-mechanical phenomenological theory demonstrate that the superior d 33 and d 33 * are associated with the hybrids nanodomains (60–90 nm) and flattened thermodynamic energy profile owing to the local structure heterogeneity. Furthermore, these results are superior as the piezoelectric properties are temperature-independent and the material has large d 33 *, and high TC compared to other lead-free piezoelectric ceramics.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Natural carbonation of portland cement with synthetic zeolite Y as a supplementary cementitious material

Risks associated with carbonation are a key limitation to greater replacement levels of ordinary portland cement (OPC) by supplementary cementitious materials (SCMs). The addition of pozzolanic SCMs in OPC alters the hydrate assemblage by forming phases like calcium-(alumina)-silicate-hydrate (C-(A)-S-H). The objective of the present study was to elucidate how such changes in hydrate assemblage influence the chemical mechanisms of carbonation in a realistic OPC system. Here, in this paper, we show that synthetic zeolite Y (faujasite) is a highly reactive pozzolan in OPC that reduces the calcium content of hydration products via prompt consumption of calcium hydroxide from the evolving phase assemblage prior to CO 2 exposure. Suppression of portlandite at moderate to high zeolite Y content led to a more damaging mechanism of carbonation by disrupting the formation of a passivating carbonate layer. Without this layer, carbonation depth and CO 2 uptake are increased. Binders containing 12–18% zeolite Y by volume consumed all the calcium hydroxide from OPC during hydration and reduced the Ca/(Si+Al) ratio of the amorphous products to near 0.67. In these cases, higher carbonation depths were observed after exposure to ambient air with decalcification of C-(A)-S-H as the main source of CO 2 buffering. Binders with either 0% or 4% zeolite Y contained calcium hydroxide in the hydrated microstructure, had higher Ca/(Si+Al) ratios, and formed a calcite-rich passivation layer that halted deep carbonation. Although the carbonated layer in the samples with 12% and 18% zeolite Y contained 70% and 76% less calcite than the OPC respectively, their higher carbonation depths resulted in total CO 2 uptakes that were 12x greater than the OPC sample. Passivation layer formation in samples with calcium hydroxide explains this finding and was further supported by thermodynamic modeling. High Si/Al zeolite additives to OPC should be balanced with the calcium content for optimal carbonation resistance.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Non-monotonic pressure dependence of high-field nematicity and magnetism in CeRhIn 5

CeRhIn 5 provides a textbook example of quantum criticality in a heavy fermion system: Pressure suppresses local-moment antiferromagnetic (AFM) order and induces superconductivity in a dome around the associated quantum critical point (QCP) near p c ≈ 23 kbar. Strong magnetic fields also suppress the AFM order at a field-induced QCP at B c ≈ 50 T. In its vicinity, a nematic phase at B * ≈ 28 T characterized by a large in-plane resistivity anisotropy emerges. Here, we directly investigate the interrelation between these phenomena via magnetoresistivity measurements under high pressure. As pressure increases, the nematic transition shifts to higher fields, until it vanishes just below p c . While pressure suppresses magnetic order in zero field as p c is approached, we find magnetism to strengthen under strong magnetic fields due to suppression of the Kondo effect. We reveal a strongly non-mean-field-like phase diagram, much richer than the common local-moment description of CeRhIn 5 would suggest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Three-State Majority-vote Model on Scale-Free Networks and the Unitary Relation for Critical Exponents

Abstract We investigate the three-state majority-vote model for opinion dynamics on scale-free and regular networks. In this model, an individual selects an opinion equal to the opinion of the majority of its neighbors with probability 1 − q , and different to it with probability q . The parameter q is called the noise parameter of the model. We build a network of interactions where z neighbors are selected by each added site in the system, a preferential attachment network with degree distribution k − λ , where λ = 3 for a large number of nodes N . In this work, z is called the growth parameter. Using finite-size scaling analysis, we obtain that the critical exponents $$\beta /\bar{\nu }$$ β / ν ¯ and $$\gamma /\bar{\nu }$$ γ / ν ¯ associated with the magnetization and the susceptibility, respectively. Using Monte Carlo simulations, we calculate the critical noise parameter q c as a function of z for the scale-free networks and obtain the phase diagram of the model. We find that the critical exponents add up to unity when using a special volumetric scaling, regardless of the dimension of the network of interactions. We verify this result by obtaining the critical noise and the critical exponents for the two and three-state majority-vote model on cubic lattice networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Directing the adsorption and assembly of laponite nano-discs at oil–water interfaces

Achieving tunable controls on the adsorption and self-assembly of nanoscale building blocks at immiscible fluid interfaces is essential for synthesizing advanced materials, stabilizing emulsions, and the sustainable storage and recovery of fluids. Although extensive efforts have been directed toward resolving the assembly of spherical nanoparticles at water–hydrocarbon interfaces, 2D nanoparticles have received far less attention. In this study, we developed novel controls to direct the adsorption and assembly of 2D laponite nano-discs (diameter = ∼30 nm and thickness = ∼1 nm) at water–heptane interfaces using traces of sodium dodecyl sulfate (SDS) surfactant, demonstrated by advanced in situ small-angle X-ray scattering, atomic force microscopy, spinning drop tensiometer measurements and molecular dynamics simulations. The results show that SDS surfactant displaces the adsorbed laponite nano-discs from the interface toward the aqueous phase. The extent of this displacement increases with SDS concentration such that high SDS concentrations convert laponite-rich interfaces to SDS-rich interfaces free of laponite nano-discs. This transformation is associated with significant alterations in the rheological and nanomechanical properties of the host interface. In this context, reduction in interfacial tension and interfacial stiffness and an increase in the interfacial deformation is observed on increasing the SDS concentration from 0 to 0.1 wt%. The displacement of laponite nano-discs from the interface is driven by strong electrostatic interactions between the hydrophilic SDS group and interfacial water molecules. These studies unlock new insights into the adsorption and assembly of 2D nanoscale particles at water–hydrocarbons interfaces that are relevant for various applications related to energy and environmental science and engineering.

interfacial tension↗

DOE OSTI2023

Revealing the Milky Way’s most recent major merger with a Gaia EDR3 catalogue of machine-learned line-of-sight velocities

Machine learning can play a powerful role in inferring missing line-of-sight velocities from astrometry in surveys such as Gaia. In this paper, we apply a neural network to Gaia Early Data Release 3 (EDR3) and obtain line-of-sight velocities and associated uncertainties for ~92 million stars. The network, which takes as input a star’s parallax, angular coordinates, and proper motions, is trained and validated on ~6.4 million stars in Gaia with complete phase-space information. The network’s uncertainty on its velocity prediction is a key aspect of its design; by properly convolving these uncertainties with the inferred velocities, we obtain accurate stellar kinematic distributions. As a first science application, we use the new network-completed catalogue to identify candidate stars that belong to the Milky Way’s most recent major merger, Gaia-Sausage-Enceladus (GSE). We present the kinematic, energy, angular momentum, and spatial distributions of the ~450 000 GSE candidates in this sample, and also study the chemical abundances of those with cross matches to GALAH and APOGEE. Furthermore, the network’s predictive power will only continue to improve with future Gaia data releases as the training set of stars with complete phase-space information grows. This work provides a first demonstration of how to use machine learning to exploit high-dimensional correlations on data to infer line-of-sight velocities, and offers a template for how to train, validate, and apply such a neural network when complete observational data is not available.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A phage nucleus-associated RNA-binding protein is required for jumbo phage infection

Abstract Large-genome bacteriophages (jumbo phages) of the proposed family Chimalliviridae assemble a nucleus-like compartment bounded by a protein shell that protects the replicating phage genome from host-encoded restriction enzymes and DNA-targeting CRISPR-Cas nucleases. While the nuclear shell provides broad protection against host nucleases, it necessitates transport of mRNA out of the nucleus-like compartment for translation by host ribosomes, and transport of specific proteins into the nucleus-like compartment to support DNA replication and mRNA transcription. Here, we identify a conserved phage nuclear shell-associated protein that we term Chimallin C (ChmC), which adopts a nucleic acid-binding fold, binds RNA with high affinity in vitro, and binds phage mRNAs in infected cells. ChmC also forms phase-separated condensates with RNA in vitro. Targeted knockdown of ChmC using mRNA-targeting dCas13d results in accumulation of phage-encoded mRNAs in the phage nucleus, reduces phage protein production, and compromises virion assembly. Taken together, our data show that the conserved ChmC protein plays crucial roles in the viral life cycle, potentially by facilitating phage mRNA translocation through the nuclear shell to promote protein production and virion development.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Fast neutrino flavor conversion modes in multidimensional core-collapse supernova models: The role of the asymmetric neutrino distributions

A dense neutrino gas, such as the one anticipated in the supernova environment, can experience fast neutrino flavor conversions on scales much shorter than those expected in vacuum probably provided that the angular distributions of ν e and $\bar{v}_e$ cross each other. We perform a detailed investigation of the neutrino angular distributions obtained by solving the Boltzmann equations for fixed matter profiles of some representative snapshots during the postbounce phase of core-collapse supernovae in multidimensional calculations of a 11.2 M ⊙ and a 27 M ⊙ progenitor model. Although the 11.2 M ⊙ model features ν e - $\bar{v}_e$ angular crossings and the associated fast modes at different time snapshots, the 27 M ⊙ model does not show any crossings within the decoupling region. We show that this can be understood by studying the multipole components of the neutrino distributions. In fact, there is a higher chance for the occurrence of ν e - $\bar{v}_e$ angular crossings for the zones where the multipole components of the neutrino distributions are strong enough. We also show that there can exist more than one crossing between the angular distributions of ν e and $\bar{v}_e$. In addition, apart from the crossings within the neutrino decoupling region, there is a class of ν e - $\bar{v}_e$ angular crossings that appears very deep inside the protoneutron star.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Excitation of Nonradiating Anapoles in Dielectric Nanospheres

Although the study of nonradiating anapoles has long been part of fundamental physics, the dynamic anapole at optical frequencies was only recently experimentally demonstrated in a specialized silicon nanodisk structure. In this article, we report excitation of the electrodynamic anapole state in isotropic silicon nanospheres using radially polarized beam illumination. The superposition of equal and out-of-phase amplitudes of the Cartesian electric and toroidal dipoles produces a pronounced dip in the scattering spectra with the scattering intensity almost reaching zero-a signature of anapole excitation. The total scattering intensity associated with the anapole excitation is found to be more than 10 times weaker for illumination with radially vs linearly polarized beams. Our approach provides a simple, straightforward alternative path to realizing nonradiating anapole states at the optical frequencies.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Sawtooth lattice multiferroic BeCr 2 O 4 : Noncollinear magnetic structure and multiple magnetic transitions

Noncollinear magnetic structures and multiple magnetic phase transitions in a sawtooth lattice antiferromagnet consisting of Cr 3+ are experimentally identified in this work, thereby proposing the scenario of magnetism-driven ferroelectricity in a sawtooth lattice. The title compound, BeCr 2 O 4 , displays three magnetic phase transitions at low temperatures—at T N1 ≈ 7.5 K, at T N2 ≈ 25 K, and at T N3 ≈ 26 K—revealed through magnetic susceptibility, specific heat, and neutron diffraction in this work. These magnetic phase transitions are found to be influenced by externally applied magnetic fields. Isothermal magnetization curves at low temperatures below the magnetic transitions indicate the antiferromagnetic nature of BeCr 2 O 4 with two spin-flop-like transitions occurring at H c1 ≈ 29 kOe and H c2 ≈ 47 kOe. Our high-resolution x-ray and neutron diffraction studies, performed on single crystal and powder samples, unambiguously determined the crystal structure as orthorhombic Pbnm. By performing the magnetic superspace group analysis of the neutron diffraction data at low temperatures, the magnetic structure in the temperature range T N3,N2 < T < T N1 is determined to be the polar magnetic space group P21nm. 1' (00g) 0s0s with a cycloidal magnetic propagation vector k 1 = (0, 0, 0.090 (1)) . The magnetic structure in the newly identified phase below T N1 is determined as P21/b.1' [b] (00 g) 00s with the magnetic propagation vector k 2 = (0, 0, 0.908 (1)). Finally, the cycloidal spin structure determined in our work is usually associated with electric polarization, thereby making BeCr 2 O 4 a promising multiferroic belonging to the sparsely populated family of sawtooth lattice antiferromagnets.

36 MATERIALS SCIENCE↗

DOE OSTI2021

From material properties to multiscale modeling to improve lithium-ion energy storage safety

Energy storage using lithium-ion cells dominates consumer electronics and is rapidly becoming predominant in electric vehicles and grid-scale energy storage, but the high energy densities attained lead to the potential for release of this stored chemical energy. This article introduces some of the paths by which this energy might be unintentionally released, relating cell material properties to the physical processes associated with this potential release. The selected paths focus on the anode–electrolyte and cathode–electrolyte interactions that are of typical concern for current and near-future systems. Relevant material processes include bulk phase transformations, bulk diffusion, surface reactions, transport limitations across insulating passivation layers, and the potential for more complex material structures to enhance safety. We also discuss the development, parameterization, and application of predictive models for this energy release and give examples of the application of these models to gain further insight into the development of safer energy storage systems.

25 ENERGY STORAGE↗

DOE OSTI2020

Improving Ductility of Hydride Embrittled Zirconium (Final Report)

One of the main limiting factors on the lifetimes of nuclear fuel rod claddings is the formation of hydrides and associated detrimental effects on mechanical properties. In this study, we examined the behavior of hydrides in zirconium and zircaloy-4 after tensile stress is applied to determine whether the more ductile γ-ZrH phase was stabilized by the mechanical stress. We did not find a significant increase in the ratio of γ-ZrH phase to δ-ZrH1.5 phases after tensile stress is applied in previously hydrided metals. Previous reports indicate that this stabilization does occur when zircaloy is stressed and hydrided simultaneously, indicating that the formation of the γ-ZrH phase may reverse upon relaxation or may require the stress in-situ during the hydriding process to form in significant quantities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Combined ambient vibration and surface displacement measurements for improved progressive failure monitoring at a toppling rock slab in Utah, USA

Seismic resonance and surface displacement measurements can be implemented in tandem to improve landslide characterization and progressive failure monitoring. Crack aperture data are frequently used in rock slope stability monitoring and often exhibit recognizable trends prior to failure, such as accelerated crack opening. Alternatively, ambient resonance data offer multiple parameters including modal frequencies, damping, and polarization that can be monitored alongside crack aperture and may respond differently to environmental forcings and complex failure evolution. We analyzed data from continuous ambient vibration monitoring and concomitant crack aperture measurements at the Courthouse Mesa instability, a large toppling sandstone slab in Utah, USA. Three years of data revealed crack aperture increases of 2–4 mm/year with no clearly detectable irreversible changes in modal parameters, including frequency. Annually, frequency and displacement varied by 29% and 19% of the mean, respectively, with average and maximum daily frequency fluctuations of 6.5% and 16%, respectively. These reversible cyclic changes were primarily temperature-driven, but annually, frequency was in-phase with temperature whereas crack aperture lagged temperature changes by ~37 days. Polarization and damping also varied seasonally but were less strongly correlated with temperature. Conceptual 3D finite element modeling demonstrated consistent frequency decreases associated with crack propagation but variable changes in crack aperture measured at a single point; i.e., crack propagation did not always result in increased crack opening but always generated a resonance frequency decrease. Taken together, our data suggest a possible thermal wedging-ratcheting mechanism at the Courthouse Mesa instability, where annual thermoelastic crack closure is impeded by debris infill but the absence of downward crack propagation during the monitoring period is evidenced by no permanent resonance frequency changes. Our study demonstrates that combined seismic resonance and crack aperture data provide an improved description of rock slope instability behavior, supporting refined characterization and monitoring of changes accompanying progressive failure.

58 GEOSCIENCES↗

DOE OSTI2024

Modulation of regional carbon uptake by AMOC and alkalinity changes in the subpolar North Atlantic under a warming climate

The slowdown of the Atlantic Meridional Overturning Circulation (AMOC) and associated consequences on ocean carbon uptake could have large implications for the Earth's climate system and its global carbon cycle. This study analyzes ten Earth System Models from the Coupled Model Intercomparison Project Phase 6 (CMIP6) and reveals that the regional carbon uptake in the subpolar North Atlantic under a high CO 2 emission scenario moderately correlates with the decline in AMOC at 40°N. AMOC transports warm and salty subtropical waters to the subpolar regions. Models with stronger AMOC slowdown generally exhibit weaker surface warming and larger decline of surface salinity and alkalinity. We consider two plausible mechanisms linking the AMOC slowdown to the decline of regional CO 2 uptake: the reduction in surface alkalinity and diminished subduction. The decline of surface salinity and alkalinity reduces the ocean's capacity to buffer acids leading to a reduced CO 2 uptake. This important contribution is unique to the North Atlantic. Diminished convective mixing and subduction of surface water can further decrease the downward transport of anthropogenic carbon, as also shown in previous research. The centennial trends of p CO 2 are decomposed into four components driven by temperature, salinity, alkalinity and dissolved inorganic carbon, revealing that alkalinity and dissolved inorganic carbon are both significant contributors. The alkalinity-driven p CO 2 essentially follows surface salinity, establishing the linkage between AMOC slowdown and alkalinity decline. Our results indicate that alkalinity changes are important for the interplay between AMOC and the regional carbon sequestration ability across the late 20 th and the entirety of the 21 st century in the subpolar North Atlantic.

AMOC↗