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Fetch-trap Pairs: Exploring definition of carbon storage prospects to increase capacity and flexibility in areas with competing uses
As CCS grows beyond isolated first-mover projects, the question of how to identify potential storage sites (prospects) is key to siting projects amidst the constraints of neighboring storage projects, hydrocarbon fields and other considerations. To date, prospects have been defined either by the extent of a buoyant trap or by the predicted maximum extent of the CO 2 or pressure plume. Both approaches have worked, but they may struggle in places like the Gulf of Mexico where complex geologic structure can invalidate simple assumptions of radial plume spread and buoyant traps are commonly unattractive due to numerous legacy well penetrations. Here, we propose identifying prospective storage sites by fetch area (drainage cell) rather than by buoyant closure alone. Doing so offers 1) greater freedom in siting injectors to avoid surface and subsurface constraints, including legacy wells that tend to cluster on structural high; and 2) a coherent flow regime in which buoyancy drives all injected CO 2 toward a common high. This strategy gives space to dissipate injection pressure and minimize the number of legacy wells needing review. It may also offer 1) better injectivity by bringing synclines and associated channel axes into play; and 2) potentially improved capacity by tapping a larger rock volume and taking advantage of migration losses.
A Phase 2 Study of Dose-intensified Chemoradiation Using Biologically Based Target Volume Definition in Patients With Newly Diagnosed Glioblastoma
We hypothesized that dose-intensified chemoradiation therapy targeting adversely prognostic hypercellular (TV{sub HCV}) and hyperperfused (TV{sub CBV}) tumor volumes would improve outcomes in patients with glioblastoma.
Population-Level Uptake of Moderately Hypofractionated Definitive Radiation Therapy in the Treatment of Prostate Cancer
Recent evidence shows the noninferiority of hypofractionated radiation therapy regimens compared with conventional regimens in the treatment of prostate cancer (PCa). Hypofractionation has benefits for both the patient and health care system, because of the shorter treatment duration. Despite this advantage, the uptake of hypofractionation can be slow. Here we investigate the factors influencing the changing use of moderate hypofractionation (HypoRT) for the treatment of PCa.
Choosing pasture maps: An assessment of pasture land classification definitions and a case study of Brazil
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Characteristic analysis and optimal survey area definition for semi-airborne transient electromagnetics
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More is definitely different: the zebrafish as witness: Comment on ”Structure and function in artificial, zebrafish and human neural networks” by Peng Ji et al.
We report half a century ago, in his foundation paper More is different, Anderson stated the relevance of including multiple scales of interaction, instead of trying to reduce everything to fundamental principles. By doing so, one may witness phenomena that were not expected by looking at each individual components separately. This idea finds indeed numerous realizations such as the synchronization phenomenon, where a multitude of dynamical systems suddenly start to behave coherently together, or the spreading of diseases over entire populations, to name only two examples. But if one would have to give a single example of a system where the multiplicity of interaction scales is of utmost importance, it would probably be the brain. In their review, Ji et al. give a comprehensive overview of the multiple scales of science required in the investigation of structural and functional brain networks, as well as their interplay.
Pareto-optimal target definition for multi-axis random vibration testing
In random vibration testing with multiple control channels, existing control laws require specification of a complete spectral density matrix at each control frequency. Spectral density matrices include autospectral densities on the diagonal and cross-spectral densities on the off-diagonal. In practice, the off-diagonal terms are often unknown, and recent vibration testing research has focused on fixing the diagonal and specifying the off-diagonal to minimize the required control energy, subject to a constraint that the target matrix is positive semidefinite. This paper shows that, even with a fixed diagonal, off-diagonal terms strongly affect control residuals. This overlooked effect occurs in both square and rectangular systems. By jointly considering input energy and control residuals, open-loop inputs are derived directly from the diagonal without specifying the off-diagonal terms. Vibration targets that can be used in closed-loop control are then derived using the optimal inputs, with positive semidefinite constraints applied during the derivation. The result is a set of Pareto-optimal control solutions. For each solution in the set, any other possible solution produces greater control error, greater input energy, or both. A balanced solution is selected automatically, though others can be chosen based on test needs. Simulations and experiments show that the proposed method outperforms state-of-the-art energy-minimizing approaches, achieving significant reductions in both control error and input energy.
Experimental Definition of the S = 1 π vs S = 2 σ Reactivity and S = 2 Character in the Ground State of an S = 1 Fe IV O Complex
Iron(IV)-oxo intermediates found in iron enzymes and artificial catalysts are competent for H atom abstraction in catalytic cycles. For S = 2 intermediates, both axial and equatorial approaches are well-established. The mechanism for S = 1 sites is not as well understood: an equatorial approach is more energetically favorable, and an axial approach requires crossing from the S = 1 to the S = 2 surface. Here, in this study, we use 1s2p resonant inelastic X-ray scattering (RIXS) and Fe L-edge X-ray absorption spectroscopy on the S = 1 [Fe IV O(TMC)(CH3CN)] 2+ and observe both S = 2 and S = 1 final states, which enables the experimental evaluation of the energetics of the axial and equatorial reactivity of an S = 1 Fe IV O center on its S = 2 vs S = 1 surface. The observation of S = 2 final states in the RIXS spectrum demonstrates significant S = 2 character spin–orbit mixed into the S = 1 ground state.
Definition of Redox Centers in Reactions of Lithium Intercalation in Li 3 RuO 4 Polymorphs
Cathodes based on layered LiMO 2 are the limiting components in the path toward Li-ion batteries with energy densities suitable for electric vehicles. Introducing an over-stoichiometry of Li increases storage capacity beyond a conventional mechanism of formal transition metal redox. However, the role and fate of the oxide ligands in such intriguing additional capacity remain unclear. This reactivity was predicted in Li 3 RuO 4 , making it a valuable model system. For this study, a comprehensive analysis of the redox activity of both Ru and O under different electrochemical conditions was carried out, and the effect of Li/Ru ordering was evaluated. Li 3 RuO 4 displays highly reversible Li intercalation to Li 4 RuO 4 below 2.5 V vs Li + /Li 0 , with conventional reactivity through the formal Ru 5+ -Ru 4+ couple. In turn, it can also undergo anodic Li extraction at 3.9 V, which involves O states to a much greater extent than Ru. This reaction competes with side processes such as electrolyte decomposition and, to a much lesser extent, oxygen loss. Although the associated capacity is reversible, reintercalation unlocks a different, conventional pathway also involving the formal Ru 5+ -Ru 4+ couple despite operating above 2.5 V, leading to chemical hysteresis. This new pathway is both chemically and electrochemically reversible in subsequent cycles. This work exemplifies both the challenge of stabilizing highly depleted O states, even with 4d metals, and the ability of solids to access the same redox couple at two very different potential windows depending on the underlying structural changes. It highlights the importance of properly defining the covalency of oxides when defining charge compensation in view of the design of materials with high capacity for Li storage.
Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit
Three betacoronaviruses have crossed the species barrier and established human-to-human transmission causing significant morbidity and mortality in the past 20 years. The most current and widespread of these is SARS-CoV-2. The identification of CoVs with zoonotic potential in animal reservoirs suggests that additional outbreaks could occur. Monoclonal antibodies targeting conserved neutralizing epitopes on diverse CoVs can form the basis for prophylaxis and therapeutic treatments and enable the design of vaccines aimed at providing pan-CoV protection. We previously identified a neutralizing monoclonal antibody, CV3-25 that binds to the SARS-CoV-2 spike, neutralizes the SARS-CoV-2 Beta variant comparably to the ancestral Wuhan Hu-1 strain, cross neutralizes SARS-CoV-1 and binds to recombinant proteins derived from the spike-ectodomains of HCoV-OC43 and HCoV-HKU1. Here, we show that the neutralizing activity of CV3-25 is maintained against the Alpha, Delta, Gamma and Omicron variants of concern as well as a SARS-CoV-like bat coronavirus with zoonotic potential by binding to a conserved linear peptide in the stem-helix region. Negative stain electron microscopy and a 1.74 Å crystal structure of a CV3-25/peptide complex demonstrates that CV3-25 binds to the base of the stem helix at the HR2 boundary to an epitope that is distinct from other stem-helix directed neutralizing mAbs.
Finite-temperature many-body perturbation theory for electrons: Algebraic recursive definitions, second-quantized derivation, linked-diagram theorem, general-order algorithms, and grand canonical and canonical ensembles
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the Rayleigh–Schrödinger perturbation theory are derived for the grand potential, chemical potential, internal energy, and entropy in the grand canonical ensemble and for the Helmholtz energy, internal energy, and entropy in the canonical ensemble, leading to their sum-over-states analytical formulas at any arbitrary order. For the grand canonical ensemble, these sum-over-states formulas are systematically transformed to sum-over-orbitals reduced analytical formulas by the quantum-field-theoretical techniques of normal-ordered second quantization and Feynman diagrams extended to finite temperature. It is found that the perturbation corrections to energies entering the recursions have to be treated as a nondiagonal matrix, whose off-diagonal elements are generally nonzero within a subspace spanned by degenerate Slater determinants. They give rise to a unique set of linked diagrams—renormalization diagrams—whose resolvent lines are displaced upward, which are distinct from the well-known anomalous diagrams of which one or more resolvent lines are erased. A linked-diagram theorem is introduced that proves the size-consistency of the finite-temperature many-body perturbation theory at any order. General-order algorithms implementing the recursions establish the convergence of the perturbation series toward the finite-temperature full-configuration-interaction limit unless the series diverges. As a result, the normal-ordered Hamiltonian at finite temperature sheds light on the relationship between the finite-temperature Hartree–Fock and first-order many-body perturbation theories.
Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran sa
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Clarifying the definition of ‘transonic’ screw dislocations
We report a number of recent Molecular Dynamics (MD) simulations have demonstrated that screw dislocations in face centred cubic (fcc) metals can achieve stable steady state motion above the lowest shear wave speed (v shear ) which is parallel to their direction of motion (often referred to as transonic motion). This is in direct contrast to classical continuum analyses which predict a divergence in the elastic energy of the host material at a crystal geometry dependent ‘critical’ velocity v crit . Within this work, we first demonstrate through analytic analyses that the elastic energy of the host material diverges at a dislocation velocity (v crit ) which is greater than v shear , i.e. v crit >v shear . We argue that it is this latter derived velocity (v crit ) which separates ‘subsonic’ and ‘supersonic’ regimes of dislocation motion in the analytic solution. In addition to our analyses, we also present a comprehensive suite of MD simulation results of steady state screw dislocation motion for a range of stresses and several cubic metals at both cryogenic and room temperatures. At room temperature, both our independent MD simulations and the earlier works find stable screw dislocation motion only below our derived v crit . Nonetheless, in real-world polycrystalline materials v crit cannot be interpreted as a hard limit for subsonic dislocation motion. In fact, at very low temperatures our MD simulations of Cu at 10 Kelvin confirm a recent claim in the literature that true ‘supersonic’ screw dislocations with dislocation velocities v>v crit are possible at very low temperatures.
Observables for recoil identification in high-definition Gas Time Projection Chambers
Directional detection of nuclear recoils is broadly desirable in nuclear and particle physics. At low recoil energies, this capability may be used to confirm the cosmological origin of a dark matter signal, to penetrate the so-called neutrino floor, or to distinguish between different neutrino sources. Gas Time Projection Chambers (TPCs) can enable directional recoil detection if the readout granularity is sufficiently high, as is the case when micro-pattern gaseous detectors (MPGDs) are utilized. A key challenge in such detectors is identifying and rejecting background electron recoil events caused by gamma rays from radioactive contaminants in the detector materials and the environment. We define new observables that can distinguish electron and nuclear recoils, even at keV-scale energies, based on the simulated ionization's topology. Here we perform a simulation study that shows these observables outperform the traditionally used discriminant, dE/dx, by up to three orders of magnitude. Furthermore, these new observables work well even at ionization energies well below 10keV and remain robust even in the regime where directionality fails.
DESI 2024 II: sample definitions, characteristics, and two-point clustering statistics
We present the samples of galaxies and quasars used for DESI 2024 cosmological analyses, drawn from the DESI Data Release 1 (DR1). We describe the construction of largescale structure (LSS) catalogs from these samples, which include matched sets of synthetic reference ‘randoms’ and weights that account for variations in the observed density of the samples due to experimental design and varying instrument performance. We detail how we correct for variations in observational completeness, the input ‘target’ densities due to imaging systematics, and the ability to confidently measure redshifts from DESI spectra. We then summarize how remaining uncertainties in the corrections can be translated to systematic uncertainties for particular analyses. We describe the weights added to maximize the signalto-noise of DESI DR1 2-point clustering measurements. We detail measurement pipelines applied to the LSS catalogs that obtain 2-point clustering measurements in configuration and Fourier space. The resulting 2-point measurements depend on window functions and normalization constraints particular to each sample, and we present the corrections required to match models to the data. We compare the configuration- and Fourier-space 2-point clustering of the data samples to that recovered from simulations of DESI DR1 and find they are, generally, in statistical agreement to within 2% in the inferred real-space over-density field. The LSS catalogs, 2-point measurements, and their covariance matrices will be released publicly with DESI DR1.
The SOUX AGN sample: SDSS– XMM-Newton optical, ultraviolet, and X-ray selected active galactic nuclei spanning a wide range of parameter space – sample definition
Abstract We assemble a sample of 696 type 1 active galactic nuclei (AGN) up to a redshift of z = 2.5, all of which have an SDSS spectrum containing at least one broad emission line (H α, H β, or Mg ii) and an XMM-Newton X-ray spectrum containing at least 250 counts in addition to simultaneous optical/ultraviolet photometry from the XMM Optical Monitor. Our sample includes quasars and narrow-line Seyfert 1s: thus our AGN span a wide range in luminosity, black hole mass, and accretion rate. We determine single-epoch black hole mass relations for the three emission lines and find that they provide broadly consistent mass estimates whether the continuum or emission line luminosity is used as the proxy for the broad emission line region radius. We explore variations of the UV/X-ray energy index αox with the UV continuum luminosity and with black hole mass and accretion rate, and make comparisons to the physical quasar spectral energy distribution model qsosed. The majority of the AGN in our sample lie in a region of parameter space with 0.02 < L/LEdd < 2 as defined by this model, with narrow-line type 1 AGN offset to lower masses and higher accretion rates than typical broad-line quasars. We find differences in the dependence of αox on UV luminosity between both narrow/broad-line and radio-loud/quiet subsets of AGN: αox has a slightly weaker dependence on UV luminosity for broad-line AGN and radio-loud AGN have systematically harder αox.